USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 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 85 GLN :FLIP amide:sc= -1.19 F(o=-3.8!,f=-1.5) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.289 X(o=-1.5,f=-1.5) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.387 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 135:sc= -1.2! (180deg=-3.97!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 11 GLN : amide:sc=-0.00211 X(o=-0.0021,f=0) USER MOD Single : A 16 MET CE :methyl 175:sc= 0 (180deg=-0.0376) USER MOD Single : A 26 LYS NZ :NH3+ 142:sc= -1.83 (180deg=-3.51!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 71:sc= 0.347 USER MOD Single : A 32 SER OG : rot 72:sc= 0.161 USER MOD Single : A 43 GLN : amide:sc= 0.71 K(o=0.71,f=-3.3!) USER MOD Single : A 44 ASN : amide:sc= 0.242 X(o=0.24,f=-0.034) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -3.06! (180deg=-4.7!) USER MOD Single : A 49 HIS : no HE2:sc= -0.694 K(o=-0.69,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0958 (180deg=-1.51!) USER MOD Single : A 59 HIS : no HE2:sc= -13.8! C(o=-14!,f=-22!) USER MOD Single : A 64 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.16) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0.113 (180deg=0.062) USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.0269 (180deg=-3.06!) USER MOD Single : A 74 SER OG : rot -130:sc= -0.138 USER MOD Single : A 77 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.45) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0.306 (180deg=0.00227) USER MOD Single : A 90 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.14) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -123:sc= 1.06 (180deg=-0.913!) USER MOD Single : A 100 GLN : amide:sc= -0.0024 X(o=-0.0024,f=0.025) USER MOD Single : A 107 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 19.425 -8.488 -12.648 1.00 1.70 N ATOM 2 CA HIS A 10 18.800 -9.797 -12.495 1.00 1.73 C ATOM 3 C HIS A 10 19.843 -10.902 -12.613 1.00 1.58 C ATOM 4 O HIS A 10 19.744 -11.937 -11.952 1.00 1.52 O ATOM 5 CB HIS A 10 17.686 -9.982 -13.525 1.00 2.04 C ATOM 6 CG HIS A 10 16.483 -9.144 -13.227 1.00 2.54 C ATOM 7 ND1 HIS A 10 16.396 -7.800 -13.503 1.00 3.19 N ATOM 8 CD2 HIS A 10 15.308 -9.480 -12.637 1.00 3.29 C ATOM 9 CE1 HIS A 10 15.202 -7.367 -13.081 1.00 4.01 C ATOM 10 NE2 HIS A 10 14.502 -8.349 -12.548 1.00 4.11 N ATOM 0 HA HIS A 10 18.355 -9.857 -11.502 1.00 1.73 H new ATOM 0 HB2 HIS A 10 18.065 -9.728 -14.515 1.00 2.04 H new ATOM 0 HB3 HIS A 10 17.395 -11.032 -13.555 1.00 2.04 H new ATOM 0 HD2 HIS A 10 15.041 -10.468 -12.292 1.00 3.29 H new ATOM 0 HE1 HIS A 10 14.857 -6.347 -13.166 1.00 4.01 H new ATOM 0 HE2 HIS A 10 13.564 -8.292 -12.152 1.00 4.11 H new ATOM 18 N GLN A 11 20.865 -10.673 -13.436 1.00 1.60 N ATOM 19 CA GLN A 11 21.931 -11.649 -13.588 1.00 1.56 C ATOM 20 C GLN A 11 22.564 -11.895 -12.231 1.00 1.29 C ATOM 21 O GLN A 11 22.681 -13.030 -11.792 1.00 1.26 O ATOM 22 CB GLN A 11 22.989 -11.171 -14.579 1.00 1.75 C ATOM 23 CG GLN A 11 22.407 -10.495 -15.808 1.00 2.28 C ATOM 24 CD GLN A 11 23.420 -10.340 -16.924 1.00 3.08 C ATOM 25 OE1 GLN A 11 24.412 -9.623 -16.783 1.00 3.64 O ATOM 26 NE2 GLN A 11 23.174 -11.012 -18.041 1.00 3.73 N ATOM 0 H GLN A 11 20.973 -9.830 -13.999 1.00 1.60 H new ATOM 0 HA GLN A 11 21.508 -12.573 -13.981 1.00 1.56 H new ATOM 0 HB2 GLN A 11 23.660 -10.475 -14.075 1.00 1.75 H new ATOM 0 HB3 GLN A 11 23.592 -12.023 -14.894 1.00 1.75 H new ATOM 0 HG2 GLN A 11 21.559 -11.076 -16.170 1.00 2.28 H new ATOM 0 HG3 GLN A 11 22.025 -9.513 -15.531 1.00 2.28 H new ATOM 0 HE21 GLN A 11 22.339 -11.594 -18.113 1.00 3.73 H new ATOM 0 HE22 GLN A 11 23.820 -10.947 -18.828 1.00 3.73 H new ATOM 35 N PHE A 12 22.936 -10.812 -11.546 1.00 1.14 N ATOM 36 CA PHE A 12 23.523 -10.927 -10.217 1.00 0.98 C ATOM 37 C PHE A 12 22.680 -11.885 -9.379 1.00 0.94 C ATOM 38 O PHE A 12 23.201 -12.812 -8.765 1.00 0.91 O ATOM 39 CB PHE A 12 23.615 -9.549 -9.548 1.00 0.98 C ATOM 40 CG PHE A 12 23.478 -9.585 -8.052 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.585 -9.804 -7.250 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.246 -9.401 -7.448 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.464 -9.840 -5.878 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.121 -9.434 -6.077 1.00 0.82 C ATOM 45 CZ PHE A 12 23.231 -9.655 -5.292 1.00 0.76 C ATOM 0 H PHE A 12 22.841 -9.856 -11.888 1.00 1.14 H new ATOM 0 HA PHE A 12 24.535 -11.322 -10.300 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.573 -9.096 -9.804 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.837 -8.905 -9.958 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.554 -9.948 -7.705 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.372 -9.230 -8.059 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.335 -10.013 -5.263 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.154 -9.287 -5.618 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.135 -9.683 -4.217 1.00 0.76 H new ATOM 55 N PHE A 13 21.363 -11.675 -9.393 1.00 1.03 N ATOM 56 CA PHE A 13 20.446 -12.543 -8.659 1.00 1.16 C ATOM 57 C PHE A 13 20.736 -14.003 -9.013 1.00 1.12 C ATOM 58 O PHE A 13 20.930 -14.842 -8.131 1.00 1.08 O ATOM 59 CB PHE A 13 18.985 -12.168 -8.976 1.00 1.42 C ATOM 60 CG PHE A 13 18.035 -13.338 -9.071 1.00 1.67 C ATOM 61 CD1 PHE A 13 17.998 -14.308 -8.082 1.00 2.16 C ATOM 62 CD2 PHE A 13 17.178 -13.462 -10.152 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.128 -15.375 -8.170 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.305 -14.528 -10.245 1.00 2.42 C ATOM 65 CZ PHE A 13 16.281 -15.486 -9.253 1.00 2.77 C ATOM 0 H PHE A 13 20.911 -10.915 -9.902 1.00 1.03 H new ATOM 0 HA PHE A 13 20.595 -12.410 -7.587 1.00 1.16 H new ATOM 0 HB2 PHE A 13 18.624 -11.487 -8.205 1.00 1.42 H new ATOM 0 HB3 PHE A 13 18.962 -11.622 -9.919 1.00 1.42 H new ATOM 0 HD1 PHE A 13 18.659 -14.228 -7.231 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.193 -12.715 -10.932 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.110 -16.123 -7.391 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.642 -14.611 -11.093 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.600 -16.321 -9.324 1.00 2.77 H new ATOM 75 N ARG A 14 20.789 -14.296 -10.311 1.00 1.21 N ATOM 76 CA ARG A 14 21.095 -15.646 -10.771 1.00 1.30 C ATOM 77 C ARG A 14 22.446 -16.082 -10.219 1.00 1.14 C ATOM 78 O ARG A 14 22.554 -17.135 -9.598 1.00 1.12 O ATOM 79 CB ARG A 14 21.087 -15.718 -12.304 1.00 1.55 C ATOM 80 CG ARG A 14 21.620 -17.029 -12.868 1.00 1.71 C ATOM 81 CD ARG A 14 20.693 -18.196 -12.557 1.00 2.48 C ATOM 82 NE ARG A 14 21.361 -19.231 -11.772 1.00 2.80 N ATOM 83 CZ ARG A 14 20.768 -19.940 -10.817 1.00 3.53 C ATOM 84 NH1 ARG A 14 19.487 -19.744 -10.530 1.00 4.35 N ATOM 85 NH2 ARG A 14 21.458 -20.852 -10.148 1.00 3.79 N ATOM 0 H ARG A 14 20.625 -13.620 -11.057 1.00 1.21 H new ATOM 0 HA ARG A 14 20.325 -16.324 -10.403 1.00 1.30 H new ATOM 0 HB2 ARG A 14 20.067 -15.570 -12.659 1.00 1.55 H new ATOM 0 HB3 ARG A 14 21.684 -14.896 -12.699 1.00 1.55 H new ATOM 0 HG2 ARG A 14 21.741 -16.938 -13.947 1.00 1.71 H new ATOM 0 HG3 ARG A 14 22.608 -17.229 -12.453 1.00 1.71 H new ATOM 0 HD2 ARG A 14 19.823 -17.832 -12.011 1.00 2.48 H new ATOM 0 HD3 ARG A 14 20.327 -18.627 -13.489 1.00 2.48 H new ATOM 0 HE ARG A 14 22.344 -19.421 -11.969 1.00 2.80 H new ATOM 0 HH11 ARG A 14 18.950 -19.045 -11.044 1.00 4.35 H new ATOM 0 HH12 ARG A 14 19.039 -20.292 -9.796 1.00 4.35 H new ATOM 0 HH21 ARG A 14 22.442 -21.009 -10.366 1.00 3.79 H new ATOM 0 HH22 ARG A 14 21.005 -21.397 -9.415 1.00 3.79 H new ATOM 99 N ASP A 15 23.467 -15.256 -10.423 1.00 1.12 N ATOM 100 CA ASP A 15 24.803 -15.556 -9.914 1.00 1.14 C ATOM 101 C ASP A 15 24.712 -16.007 -8.456 1.00 1.00 C ATOM 102 O ASP A 15 25.261 -17.038 -8.082 1.00 1.05 O ATOM 103 CB ASP A 15 25.729 -14.334 -10.038 1.00 1.29 C ATOM 104 CG ASP A 15 25.635 -13.638 -11.391 1.00 1.49 C ATOM 105 OD1 ASP A 15 25.051 -14.221 -12.329 1.00 2.10 O ATOM 106 OD2 ASP A 15 26.155 -12.506 -11.514 1.00 1.84 O ATOM 0 H ASP A 15 23.397 -14.377 -10.935 1.00 1.12 H new ATOM 0 HA ASP A 15 25.228 -16.361 -10.513 1.00 1.14 H new ATOM 0 HB2 ASP A 15 25.483 -13.620 -9.252 1.00 1.29 H new ATOM 0 HB3 ASP A 15 26.759 -14.649 -9.871 1.00 1.29 H new ATOM 111 N MET A 16 23.995 -15.231 -7.640 1.00 0.93 N ATOM 112 CA MET A 16 23.816 -15.563 -6.226 1.00 0.98 C ATOM 113 C MET A 16 23.205 -16.956 -6.085 1.00 0.88 C ATOM 114 O MET A 16 23.739 -17.817 -5.382 1.00 0.88 O ATOM 115 CB MET A 16 22.924 -14.521 -5.540 1.00 1.15 C ATOM 116 CG MET A 16 22.907 -14.634 -4.022 1.00 1.45 C ATOM 117 SD MET A 16 21.248 -14.486 -3.331 1.00 1.92 S ATOM 118 CE MET A 16 20.587 -16.114 -3.684 1.00 2.23 C ATOM 0 H MET A 16 23.531 -14.371 -7.933 1.00 0.93 H new ATOM 0 HA MET A 16 24.792 -15.557 -5.741 1.00 0.98 H new ATOM 0 HB2 MET A 16 23.266 -13.524 -5.817 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.906 -14.624 -5.915 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.334 -15.593 -3.728 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.544 -13.858 -3.597 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.597 -16.209 -3.238 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.514 -16.251 -4.763 1.00 2.23 H new ATOM 0 HE3 MET A 16 21.248 -16.873 -3.266 1.00 2.23 H new ATOM 128 N ASP A 17 22.084 -17.182 -6.773 1.00 0.91 N ATOM 129 CA ASP A 17 21.422 -18.481 -6.738 1.00 0.97 C ATOM 130 C ASP A 17 22.432 -19.579 -7.056 1.00 0.88 C ATOM 131 O ASP A 17 22.493 -20.602 -6.376 1.00 0.86 O ATOM 132 CB ASP A 17 20.262 -18.522 -7.734 1.00 1.19 C ATOM 133 CG ASP A 17 19.367 -19.731 -7.530 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.789 -20.851 -7.891 1.00 2.46 O ATOM 135 OD2 ASP A 17 18.244 -19.557 -7.012 1.00 2.44 O ATOM 0 H ASP A 17 21.621 -16.485 -7.357 1.00 0.91 H new ATOM 0 HA ASP A 17 21.018 -18.644 -5.739 1.00 0.97 H new ATOM 0 HB2 ASP A 17 19.669 -17.613 -7.634 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.659 -18.534 -8.749 1.00 1.19 H new ATOM 140 N ASP A 18 23.246 -19.340 -8.082 1.00 0.95 N ATOM 141 CA ASP A 18 24.282 -20.286 -8.476 1.00 1.09 C ATOM 142 C ASP A 18 25.134 -20.638 -7.263 1.00 1.01 C ATOM 143 O ASP A 18 25.352 -21.813 -6.969 1.00 1.05 O ATOM 144 CB ASP A 18 25.151 -19.697 -9.593 1.00 1.33 C ATOM 145 CG ASP A 18 25.035 -20.478 -10.888 1.00 1.90 C ATOM 146 OD1 ASP A 18 23.996 -20.347 -11.568 1.00 2.49 O ATOM 147 OD2 ASP A 18 25.983 -21.219 -11.223 1.00 2.48 O ATOM 0 H ASP A 18 23.206 -18.497 -8.655 1.00 0.95 H new ATOM 0 HA ASP A 18 23.813 -21.193 -8.858 1.00 1.09 H new ATOM 0 HB2 ASP A 18 24.859 -18.662 -9.769 1.00 1.33 H new ATOM 0 HB3 ASP A 18 26.192 -19.685 -9.271 1.00 1.33 H new ATOM 152 N GLU A 19 25.589 -19.611 -6.545 1.00 1.02 N ATOM 153 CA GLU A 19 26.383 -19.820 -5.337 1.00 1.12 C ATOM 154 C GLU A 19 25.565 -20.625 -4.336 1.00 0.89 C ATOM 155 O GLU A 19 26.013 -21.651 -3.830 1.00 0.88 O ATOM 156 CB GLU A 19 26.802 -18.488 -4.711 1.00 1.38 C ATOM 157 CG GLU A 19 27.242 -17.442 -5.718 1.00 2.04 C ATOM 158 CD GLU A 19 26.538 -16.111 -5.529 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.315 -16.047 -5.776 1.00 3.02 O ATOM 160 OE2 GLU A 19 27.207 -15.135 -5.132 1.00 3.07 O ATOM 0 H GLU A 19 25.422 -18.632 -6.778 1.00 1.02 H new ATOM 0 HA GLU A 19 27.288 -20.364 -5.606 1.00 1.12 H new ATOM 0 HB2 GLU A 19 25.967 -18.092 -4.133 1.00 1.38 H new ATOM 0 HB3 GLU A 19 27.618 -18.668 -4.011 1.00 1.38 H new ATOM 0 HG2 GLU A 19 28.319 -17.294 -5.634 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.049 -17.810 -6.726 1.00 2.04 H new ATOM 167 N GLU A 20 24.349 -20.153 -4.067 1.00 0.84 N ATOM 168 CA GLU A 20 23.451 -20.843 -3.147 1.00 0.84 C ATOM 169 C GLU A 20 23.509 -22.344 -3.408 1.00 0.73 C ATOM 170 O GLU A 20 23.674 -23.140 -2.485 1.00 0.78 O ATOM 171 CB GLU A 20 22.017 -20.328 -3.306 1.00 1.03 C ATOM 172 CG GLU A 20 21.110 -20.664 -2.130 1.00 1.61 C ATOM 173 CD GLU A 20 20.536 -19.430 -1.460 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.326 -18.551 -1.054 1.00 2.49 O ATOM 175 OE2 GLU A 20 19.296 -19.336 -1.348 1.00 2.50 O ATOM 0 H GLU A 20 23.965 -19.299 -4.472 1.00 0.84 H new ATOM 0 HA GLU A 20 23.770 -20.645 -2.124 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.042 -19.246 -3.436 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.588 -20.749 -4.215 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.293 -21.297 -2.476 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.672 -21.242 -1.397 1.00 1.61 H new ATOM 182 N SER A 21 23.401 -22.725 -4.678 1.00 0.75 N ATOM 183 CA SER A 21 23.476 -24.131 -5.049 1.00 0.89 C ATOM 184 C SER A 21 24.843 -24.685 -4.664 1.00 0.84 C ATOM 185 O SER A 21 24.940 -25.716 -4.002 1.00 0.91 O ATOM 186 CB SER A 21 23.227 -24.313 -6.547 1.00 1.14 C ATOM 187 OG SER A 21 22.546 -25.529 -6.802 1.00 1.59 O ATOM 0 H SER A 21 23.263 -22.085 -5.460 1.00 0.75 H new ATOM 0 HA SER A 21 22.701 -24.679 -4.513 1.00 0.89 H new ATOM 0 HB2 SER A 21 22.640 -23.476 -6.927 1.00 1.14 H new ATOM 0 HB3 SER A 21 24.177 -24.305 -7.081 1.00 1.14 H new ATOM 0 HG SER A 21 22.396 -25.624 -7.766 1.00 1.59 H new ATOM 193 N TRP A 22 25.896 -23.966 -5.057 1.00 0.91 N ATOM 194 CA TRP A 22 27.269 -24.362 -4.737 1.00 1.05 C ATOM 195 C TRP A 22 27.397 -24.638 -3.243 1.00 0.87 C ATOM 196 O TRP A 22 28.086 -25.561 -2.837 1.00 0.92 O ATOM 197 CB TRP A 22 28.253 -23.269 -5.182 1.00 1.38 C ATOM 198 CG TRP A 22 29.520 -23.195 -4.376 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.674 -23.893 -4.589 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.761 -22.371 -3.230 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.615 -23.545 -3.651 1.00 2.16 N ATOM 202 CE2 TRP A 22 31.077 -22.616 -2.813 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.994 -21.449 -2.517 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.641 -21.975 -1.726 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.556 -20.817 -1.432 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.868 -21.081 -1.048 1.00 2.11 C ATOM 0 H TRP A 22 25.824 -23.105 -5.599 1.00 0.91 H new ATOM 0 HA TRP A 22 27.513 -25.277 -5.276 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.513 -23.438 -6.227 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.749 -22.304 -5.131 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.825 -24.613 -5.379 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.561 -23.921 -3.592 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.977 -21.235 -2.812 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.659 -22.176 -1.425 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.970 -20.105 -0.869 1.00 2.24 H new ATOM 0 HH2 TRP A 22 31.282 -20.566 -0.194 1.00 2.11 H new ATOM 217 N ILE A 23 26.717 -23.828 -2.436 1.00 0.80 N ATOM 218 CA ILE A 23 26.725 -23.997 -0.988 1.00 0.90 C ATOM 219 C ILE A 23 26.200 -25.381 -0.622 1.00 0.87 C ATOM 220 O ILE A 23 26.893 -26.164 0.024 1.00 0.95 O ATOM 221 CB ILE A 23 25.879 -22.904 -0.281 1.00 1.16 C ATOM 222 CG1 ILE A 23 26.736 -21.670 0.017 1.00 1.34 C ATOM 223 CG2 ILE A 23 25.250 -23.434 1.001 1.00 1.46 C ATOM 224 CD1 ILE A 23 27.931 -21.954 0.902 1.00 1.92 C ATOM 0 H ILE A 23 26.151 -23.045 -2.763 1.00 0.80 H new ATOM 0 HA ILE A 23 27.755 -23.896 -0.645 1.00 0.90 H new ATOM 0 HB ILE A 23 25.074 -22.617 -0.957 1.00 1.16 H new ATOM 0 HG12 ILE A 23 27.086 -21.246 -0.924 1.00 1.34 H new ATOM 0 HG13 ILE A 23 26.113 -20.914 0.495 1.00 1.34 H new ATOM 0 HG21 ILE A 23 24.664 -22.645 1.472 1.00 1.46 H new ATOM 0 HG22 ILE A 23 24.600 -24.277 0.766 1.00 1.46 H new ATOM 0 HG23 ILE A 23 26.035 -23.760 1.684 1.00 1.46 H new ATOM 0 HD11 ILE A 23 28.488 -21.032 1.068 1.00 1.92 H new ATOM 0 HD12 ILE A 23 27.589 -22.349 1.859 1.00 1.92 H new ATOM 0 HD13 ILE A 23 28.577 -22.686 0.417 1.00 1.92 H new ATOM 236 N LYS A 24 24.981 -25.688 -1.055 1.00 0.92 N ATOM 237 CA LYS A 24 24.385 -26.992 -0.779 1.00 1.18 C ATOM 238 C LYS A 24 25.335 -28.102 -1.221 1.00 1.21 C ATOM 239 O LYS A 24 25.532 -29.094 -0.517 1.00 1.38 O ATOM 240 CB LYS A 24 23.040 -27.144 -1.502 1.00 1.40 C ATOM 241 CG LYS A 24 22.302 -25.831 -1.733 1.00 2.00 C ATOM 242 CD LYS A 24 20.855 -26.067 -2.148 1.00 2.68 C ATOM 243 CE LYS A 24 20.745 -26.488 -3.609 1.00 3.24 C ATOM 244 NZ LYS A 24 20.495 -25.330 -4.511 1.00 3.58 N ATOM 0 H LYS A 24 24.389 -25.057 -1.595 1.00 0.92 H new ATOM 0 HA LYS A 24 24.211 -27.068 0.294 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.210 -27.626 -2.465 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.401 -27.809 -0.921 1.00 1.40 H new ATOM 0 HG2 LYS A 24 22.327 -25.234 -0.822 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.814 -25.256 -2.505 1.00 2.00 H new ATOM 0 HD2 LYS A 24 20.416 -26.838 -1.514 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.278 -25.156 -1.988 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.664 -26.990 -3.911 1.00 3.24 H new ATOM 0 HE3 LYS A 24 19.937 -27.211 -3.717 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.114 -25.399 -5.344 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 19.501 -25.336 -4.816 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 20.696 -24.445 -4.003 1.00 3.58 H new ATOM 258 N GLU A 25 25.924 -27.909 -2.396 1.00 1.18 N ATOM 259 CA GLU A 25 26.863 -28.868 -2.964 1.00 1.40 C ATOM 260 C GLU A 25 28.154 -28.911 -2.149 1.00 1.37 C ATOM 261 O GLU A 25 28.761 -29.971 -1.984 1.00 1.59 O ATOM 262 CB GLU A 25 27.164 -28.497 -4.421 1.00 1.58 C ATOM 263 CG GLU A 25 26.156 -29.056 -5.417 1.00 2.34 C ATOM 264 CD GLU A 25 26.804 -29.908 -6.494 1.00 2.86 C ATOM 265 OE1 GLU A 25 27.381 -29.332 -7.442 1.00 3.26 O ATOM 266 OE2 GLU A 25 26.735 -31.151 -6.392 1.00 3.45 O ATOM 0 H GLU A 25 25.765 -27.087 -2.979 1.00 1.18 H new ATOM 0 HA GLU A 25 26.411 -29.859 -2.933 1.00 1.40 H new ATOM 0 HB2 GLU A 25 27.188 -27.411 -4.512 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.158 -28.861 -4.681 1.00 1.58 H new ATOM 0 HG2 GLU A 25 25.417 -29.654 -4.883 1.00 2.34 H new ATOM 0 HG3 GLU A 25 25.620 -28.231 -5.886 1.00 2.34 H new ATOM 273 N LYS A 26 28.564 -27.753 -1.636 1.00 1.19 N ATOM 274 CA LYS A 26 29.775 -27.656 -0.833 1.00 1.29 C ATOM 275 C LYS A 26 29.579 -28.379 0.497 1.00 1.31 C ATOM 276 O LYS A 26 30.462 -29.100 0.959 1.00 1.49 O ATOM 277 CB LYS A 26 30.174 -26.183 -0.617 1.00 1.34 C ATOM 278 CG LYS A 26 31.113 -25.974 0.561 1.00 1.63 C ATOM 279 CD LYS A 26 32.508 -26.505 0.264 1.00 2.01 C ATOM 280 CE LYS A 26 33.312 -26.723 1.536 1.00 2.27 C ATOM 281 NZ LYS A 26 33.136 -28.098 2.080 1.00 2.77 N ATOM 0 H LYS A 26 28.072 -26.869 -1.764 1.00 1.19 H new ATOM 0 HA LYS A 26 30.592 -28.140 -1.369 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.651 -25.808 -1.522 1.00 1.34 H new ATOM 0 HB3 LYS A 26 29.273 -25.590 -0.462 1.00 1.34 H new ATOM 0 HG2 LYS A 26 31.170 -24.912 0.798 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.711 -26.476 1.441 1.00 1.63 H new ATOM 0 HD2 LYS A 26 32.430 -27.445 -0.282 1.00 2.01 H new ATOM 0 HD3 LYS A 26 33.034 -25.803 -0.383 1.00 2.01 H new ATOM 0 HE2 LYS A 26 34.368 -26.547 1.332 1.00 2.27 H new ATOM 0 HE3 LYS A 26 33.007 -25.994 2.287 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 34.042 -28.439 2.461 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 32.425 -28.083 2.839 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.818 -28.734 1.321 1.00 2.77 H new ATOM 295 N LYS A 27 28.403 -28.194 1.097 1.00 1.25 N ATOM 296 CA LYS A 27 28.072 -28.839 2.364 1.00 1.48 C ATOM 297 C LYS A 27 28.218 -30.354 2.244 1.00 1.65 C ATOM 298 O LYS A 27 28.782 -31.007 3.122 1.00 1.84 O ATOM 299 CB LYS A 27 26.639 -28.485 2.771 1.00 1.61 C ATOM 300 CG LYS A 27 26.198 -29.097 4.096 1.00 2.10 C ATOM 301 CD LYS A 27 24.965 -29.974 3.927 1.00 2.50 C ATOM 302 CE LYS A 27 23.715 -29.140 3.677 1.00 3.05 C ATOM 303 NZ LYS A 27 23.052 -28.737 4.948 1.00 3.62 N ATOM 0 H LYS A 27 27.663 -27.600 0.723 1.00 1.25 H new ATOM 0 HA LYS A 27 28.761 -28.480 3.129 1.00 1.48 H new ATOM 0 HB2 LYS A 27 26.549 -27.401 2.836 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.958 -28.815 1.986 1.00 1.61 H new ATOM 0 HG2 LYS A 27 27.012 -29.690 4.512 1.00 2.10 H new ATOM 0 HG3 LYS A 27 25.985 -28.302 4.811 1.00 2.10 H new ATOM 0 HD2 LYS A 27 25.117 -30.661 3.095 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.825 -30.582 4.821 1.00 2.50 H new ATOM 0 HE2 LYS A 27 23.981 -28.249 3.108 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.014 -29.710 3.067 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 22.206 -28.171 4.734 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 22.775 -29.587 5.480 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.711 -28.171 5.519 1.00 3.62 H new ATOM 317 N LEU A 28 27.699 -30.908 1.152 1.00 1.65 N ATOM 318 CA LEU A 28 27.770 -32.347 0.915 1.00 1.92 C ATOM 319 C LEU A 28 29.222 -32.811 0.877 1.00 1.96 C ATOM 320 O LEU A 28 29.580 -33.836 1.459 1.00 2.16 O ATOM 321 CB LEU A 28 27.072 -32.706 -0.402 1.00 2.05 C ATOM 322 CG LEU A 28 26.629 -34.168 -0.527 1.00 2.51 C ATOM 323 CD1 LEU A 28 25.202 -34.338 -0.024 1.00 3.19 C ATOM 324 CD2 LEU A 28 26.748 -34.646 -1.967 1.00 2.78 C ATOM 0 H LEU A 28 27.225 -30.383 0.417 1.00 1.65 H new ATOM 0 HA LEU A 28 27.261 -32.855 1.734 1.00 1.92 H new ATOM 0 HB2 LEU A 28 26.197 -32.067 -0.517 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.746 -32.475 -1.227 1.00 2.05 H new ATOM 0 HG LEU A 28 27.288 -34.778 0.091 1.00 2.51 H new ATOM 0 HD11 LEU A 28 24.904 -35.382 -0.120 1.00 3.19 H new ATOM 0 HD12 LEU A 28 25.147 -34.040 1.023 1.00 3.19 H new ATOM 0 HD13 LEU A 28 24.531 -33.714 -0.614 1.00 3.19 H new ATOM 0 HD21 LEU A 28 26.429 -35.686 -2.033 1.00 2.78 H new ATOM 0 HD22 LEU A 28 26.116 -34.031 -2.608 1.00 2.78 H new ATOM 0 HD23 LEU A 28 27.785 -34.564 -2.293 1.00 2.78 H new ATOM 336 N LEU A 29 30.058 -32.042 0.186 1.00 1.84 N ATOM 337 CA LEU A 29 31.474 -32.366 0.068 1.00 2.00 C ATOM 338 C LEU A 29 32.133 -32.419 1.444 1.00 2.03 C ATOM 339 O LEU A 29 32.864 -33.360 1.757 1.00 2.24 O ATOM 340 CB LEU A 29 32.180 -31.335 -0.820 1.00 2.00 C ATOM 341 CG LEU A 29 32.541 -31.823 -2.228 1.00 2.43 C ATOM 342 CD1 LEU A 29 33.693 -32.819 -2.173 1.00 3.08 C ATOM 343 CD2 LEU A 29 31.328 -32.440 -2.915 1.00 3.02 C ATOM 0 H LEU A 29 29.778 -31.190 -0.300 1.00 1.84 H new ATOM 0 HA LEU A 29 31.565 -33.350 -0.393 1.00 2.00 H new ATOM 0 HB2 LEU A 29 31.539 -30.458 -0.910 1.00 2.00 H new ATOM 0 HB3 LEU A 29 33.093 -31.013 -0.319 1.00 2.00 H new ATOM 0 HG LEU A 29 32.861 -30.962 -2.814 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.934 -33.153 -3.182 1.00 3.08 H new ATOM 0 HD12 LEU A 29 34.567 -32.340 -1.731 1.00 3.08 H new ATOM 0 HD13 LEU A 29 33.404 -33.677 -1.566 1.00 3.08 H new ATOM 0 HD21 LEU A 29 31.608 -32.779 -3.912 1.00 3.02 H new ATOM 0 HD22 LEU A 29 30.971 -33.288 -2.330 1.00 3.02 H new ATOM 0 HD23 LEU A 29 30.536 -31.695 -2.994 1.00 3.02 H new ATOM 355 N VAL A 30 31.862 -31.408 2.264 1.00 1.90 N ATOM 356 CA VAL A 30 32.424 -31.343 3.608 1.00 2.05 C ATOM 357 C VAL A 30 32.070 -32.599 4.403 1.00 2.27 C ATOM 358 O VAL A 30 32.919 -33.174 5.084 1.00 2.48 O ATOM 359 CB VAL A 30 31.940 -30.075 4.367 1.00 2.03 C ATOM 360 CG1 VAL A 30 30.923 -30.414 5.451 1.00 2.26 C ATOM 361 CG2 VAL A 30 33.123 -29.326 4.964 1.00 2.35 C ATOM 0 H VAL A 30 31.257 -30.623 2.021 1.00 1.90 H new ATOM 0 HA VAL A 30 33.508 -31.283 3.507 1.00 2.05 H new ATOM 0 HB VAL A 30 31.443 -29.431 3.641 1.00 2.03 H new ATOM 0 HG11 VAL A 30 30.611 -29.500 5.956 1.00 2.26 H new ATOM 0 HG12 VAL A 30 30.055 -30.892 4.998 1.00 2.26 H new ATOM 0 HG13 VAL A 30 31.375 -31.092 6.175 1.00 2.26 H new ATOM 0 HG21 VAL A 30 32.765 -28.442 5.491 1.00 2.35 H new ATOM 0 HG22 VAL A 30 33.650 -29.976 5.662 1.00 2.35 H new ATOM 0 HG23 VAL A 30 33.802 -29.023 4.167 1.00 2.35 H new ATOM 371 N SER A 31 30.812 -33.020 4.304 1.00 2.30 N ATOM 372 CA SER A 31 30.338 -34.208 5.011 1.00 2.61 C ATOM 373 C SER A 31 31.176 -35.433 4.656 1.00 2.74 C ATOM 374 O SER A 31 31.390 -36.315 5.490 1.00 3.01 O ATOM 375 CB SER A 31 28.866 -34.467 4.682 1.00 2.70 C ATOM 376 OG SER A 31 28.096 -33.285 4.815 1.00 2.71 O ATOM 0 H SER A 31 30.100 -32.555 3.740 1.00 2.30 H new ATOM 0 HA SER A 31 30.440 -34.025 6.081 1.00 2.61 H new ATOM 0 HB2 SER A 31 28.780 -34.848 3.664 1.00 2.70 H new ATOM 0 HB3 SER A 31 28.472 -35.237 5.345 1.00 2.70 H new ATOM 0 HG SER A 31 28.323 -32.664 4.092 1.00 2.71 H new ATOM 382 N SER A 32 31.639 -35.484 3.411 1.00 2.63 N ATOM 383 CA SER A 32 32.448 -36.601 2.940 1.00 2.85 C ATOM 384 C SER A 32 33.881 -36.503 3.460 1.00 2.93 C ATOM 385 O SER A 32 34.411 -37.460 4.025 1.00 3.19 O ATOM 386 CB SER A 32 32.443 -36.645 1.410 1.00 2.84 C ATOM 387 OG SER A 32 31.131 -36.469 0.899 1.00 3.16 O ATOM 0 H SER A 32 31.467 -34.763 2.710 1.00 2.63 H new ATOM 0 HA SER A 32 32.012 -37.522 3.326 1.00 2.85 H new ATOM 0 HB2 SER A 32 33.097 -35.866 1.018 1.00 2.84 H new ATOM 0 HB3 SER A 32 32.845 -37.599 1.069 1.00 2.84 H new ATOM 0 HG SER A 32 30.852 -35.539 1.029 1.00 3.16 H new ATOM 393 N GLU A 33 34.500 -35.343 3.261 1.00 2.79 N ATOM 394 CA GLU A 33 35.875 -35.117 3.704 1.00 2.95 C ATOM 395 C GLU A 33 36.033 -35.402 5.197 1.00 3.13 C ATOM 396 O GLU A 33 37.014 -36.015 5.621 1.00 3.53 O ATOM 397 CB GLU A 33 36.297 -33.677 3.409 1.00 3.57 C ATOM 398 CG GLU A 33 36.236 -33.305 1.932 1.00 3.89 C ATOM 399 CD GLU A 33 35.759 -31.881 1.694 1.00 3.97 C ATOM 400 OE1 GLU A 33 35.828 -31.062 2.635 1.00 4.37 O ATOM 401 OE2 GLU A 33 35.320 -31.584 0.565 1.00 4.15 O ATOM 0 H GLU A 33 34.072 -34.543 2.795 1.00 2.79 H new ATOM 0 HA GLU A 33 36.517 -35.804 3.153 1.00 2.95 H new ATOM 0 HB2 GLU A 33 35.655 -32.998 3.971 1.00 3.57 H new ATOM 0 HB3 GLU A 33 37.314 -33.526 3.770 1.00 3.57 H new ATOM 0 HG2 GLU A 33 37.225 -33.429 1.491 1.00 3.89 H new ATOM 0 HG3 GLU A 33 35.569 -33.996 1.417 1.00 3.89 H new ATOM 540 N GLN A 43 42.064 -38.662 13.446 1.00 3.28 N ATOM 541 CA GLN A 43 43.146 -37.896 12.833 1.00 3.01 C ATOM 542 C GLN A 43 42.688 -37.238 11.536 1.00 2.82 C ATOM 543 O GLN A 43 43.145 -36.149 11.187 1.00 2.61 O ATOM 544 CB GLN A 43 44.354 -38.796 12.560 1.00 3.07 C ATOM 545 CG GLN A 43 45.072 -39.255 13.819 1.00 3.47 C ATOM 546 CD GLN A 43 45.824 -38.132 14.508 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.249 -37.371 15.288 1.00 4.06 O ATOM 548 NE2 GLN A 43 47.115 -38.019 14.222 1.00 4.24 N ATOM 0 HA GLN A 43 43.436 -37.113 13.534 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.024 -39.672 12.001 1.00 3.07 H new ATOM 0 HB3 GLN A 43 45.059 -38.260 11.925 1.00 3.07 H new ATOM 0 HG2 GLN A 43 44.345 -39.679 14.512 1.00 3.47 H new ATOM 0 HG3 GLN A 43 45.771 -40.051 13.564 1.00 3.47 H new ATOM 0 HE21 GLN A 43 47.552 -38.671 13.570 1.00 4.24 H new ATOM 0 HE22 GLN A 43 47.670 -37.280 14.654 1.00 4.24 H new ATOM 557 N ASN A 44 41.781 -37.901 10.826 1.00 2.97 N ATOM 558 CA ASN A 44 41.264 -37.369 9.571 1.00 2.93 C ATOM 559 C ASN A 44 40.376 -36.163 9.836 1.00 2.82 C ATOM 560 O ASN A 44 40.410 -35.182 9.098 1.00 2.66 O ATOM 561 CB ASN A 44 40.479 -38.438 8.805 1.00 3.26 C ATOM 562 CG ASN A 44 39.804 -37.879 7.566 1.00 3.37 C ATOM 563 OD1 ASN A 44 40.359 -37.924 6.469 1.00 3.42 O ATOM 564 ND2 ASN A 44 38.600 -37.346 7.737 1.00 3.83 N ATOM 0 H ASN A 44 41.390 -38.803 11.097 1.00 2.97 H new ATOM 0 HA ASN A 44 42.112 -37.060 8.959 1.00 2.93 H new ATOM 0 HB2 ASN A 44 41.154 -39.244 8.516 1.00 3.26 H new ATOM 0 HB3 ASN A 44 39.726 -38.873 9.462 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.098 -36.953 6.941 1.00 3.83 H new ATOM 0 HD22 ASN A 44 38.177 -37.330 8.665 1.00 3.83 H new ATOM 571 N LEU A 45 39.583 -36.244 10.900 1.00 3.00 N ATOM 572 CA LEU A 45 38.692 -35.157 11.273 1.00 3.01 C ATOM 573 C LEU A 45 39.509 -33.925 11.634 1.00 2.73 C ATOM 574 O LEU A 45 39.272 -32.840 11.112 1.00 2.57 O ATOM 575 CB LEU A 45 37.803 -35.570 12.453 1.00 3.36 C ATOM 576 CG LEU A 45 36.315 -35.236 12.299 1.00 3.84 C ATOM 577 CD1 LEU A 45 36.100 -33.729 12.270 1.00 4.27 C ATOM 578 CD2 LEU A 45 35.746 -35.885 11.045 1.00 4.23 C ATOM 0 H LEU A 45 39.541 -37.054 11.519 1.00 3.00 H new ATOM 0 HA LEU A 45 38.048 -34.923 10.426 1.00 3.01 H new ATOM 0 HB2 LEU A 45 37.904 -36.645 12.604 1.00 3.36 H new ATOM 0 HB3 LEU A 45 38.176 -35.085 13.355 1.00 3.36 H new ATOM 0 HG LEU A 45 35.785 -35.638 13.162 1.00 3.84 H new ATOM 0 HD11 LEU A 45 35.037 -33.515 12.160 1.00 4.27 H new ATOM 0 HD12 LEU A 45 36.464 -33.292 13.200 1.00 4.27 H new ATOM 0 HD13 LEU A 45 36.645 -33.300 11.429 1.00 4.27 H new ATOM 0 HD21 LEU A 45 34.689 -35.636 10.954 1.00 4.23 H new ATOM 0 HD22 LEU A 45 36.282 -35.518 10.170 1.00 4.23 H new ATOM 0 HD23 LEU A 45 35.859 -36.967 11.112 1.00 4.23 H new ATOM 590 N ARG A 46 40.484 -34.108 12.521 1.00 2.73 N ATOM 591 CA ARG A 46 41.348 -33.012 12.946 1.00 2.59 C ATOM 592 C ARG A 46 41.986 -32.325 11.740 1.00 2.28 C ATOM 593 O ARG A 46 41.976 -31.097 11.637 1.00 2.17 O ATOM 594 CB ARG A 46 42.434 -33.532 13.892 1.00 2.76 C ATOM 595 CG ARG A 46 43.146 -32.433 14.670 1.00 2.97 C ATOM 596 CD ARG A 46 43.291 -32.786 16.144 1.00 3.51 C ATOM 597 NE ARG A 46 43.727 -34.168 16.340 1.00 4.06 N ATOM 598 CZ ARG A 46 43.668 -34.805 17.508 1.00 4.80 C ATOM 599 NH1 ARG A 46 43.200 -34.187 18.585 1.00 5.15 N ATOM 600 NH2 ARG A 46 44.082 -36.060 17.599 1.00 5.49 N ATOM 0 H ARG A 46 40.695 -35.005 12.959 1.00 2.73 H new ATOM 0 HA ARG A 46 40.738 -32.280 13.475 1.00 2.59 H new ATOM 0 HB2 ARG A 46 41.985 -34.231 14.597 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.170 -34.091 13.314 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.132 -32.263 14.238 1.00 2.97 H new ATOM 0 HG3 ARG A 46 42.590 -31.500 14.573 1.00 2.97 H new ATOM 0 HD2 ARG A 46 44.009 -32.111 16.609 1.00 3.51 H new ATOM 0 HD3 ARG A 46 42.337 -32.633 16.648 1.00 3.51 H new ATOM 0 HE ARG A 46 44.098 -34.673 15.535 1.00 4.06 H new ATOM 0 HH11 ARG A 46 42.883 -33.220 18.521 1.00 5.15 H new ATOM 0 HH12 ARG A 46 43.157 -34.679 19.477 1.00 5.15 H new ATOM 0 HH21 ARG A 46 44.446 -36.538 16.775 1.00 5.49 H new ATOM 0 HH22 ARG A 46 44.037 -36.548 18.493 1.00 5.49 H new ATOM 614 N LYS A 47 42.533 -33.121 10.824 1.00 2.24 N ATOM 615 CA LYS A 47 43.163 -32.577 9.625 1.00 2.12 C ATOM 616 C LYS A 47 42.136 -31.838 8.779 1.00 2.02 C ATOM 617 O LYS A 47 42.379 -30.717 8.330 1.00 1.89 O ATOM 618 CB LYS A 47 43.814 -33.692 8.803 1.00 2.32 C ATOM 619 CG LYS A 47 45.098 -34.235 9.411 1.00 2.70 C ATOM 620 CD LYS A 47 45.592 -35.467 8.665 1.00 3.12 C ATOM 621 CE LYS A 47 46.715 -36.165 9.415 1.00 3.66 C ATOM 622 NZ LYS A 47 47.428 -37.151 8.557 1.00 4.30 N ATOM 0 H LYS A 47 42.553 -34.139 10.889 1.00 2.24 H new ATOM 0 HA LYS A 47 43.938 -31.876 9.934 1.00 2.12 H new ATOM 0 HB2 LYS A 47 43.102 -34.510 8.690 1.00 2.32 H new ATOM 0 HB3 LYS A 47 44.028 -33.315 7.803 1.00 2.32 H new ATOM 0 HG2 LYS A 47 45.867 -33.463 9.389 1.00 2.70 H new ATOM 0 HG3 LYS A 47 44.928 -34.486 10.458 1.00 2.70 H new ATOM 0 HD2 LYS A 47 44.764 -36.161 8.520 1.00 3.12 H new ATOM 0 HD3 LYS A 47 45.941 -35.177 7.674 1.00 3.12 H new ATOM 0 HE2 LYS A 47 47.424 -35.422 9.780 1.00 3.66 H new ATOM 0 HE3 LYS A 47 46.307 -36.673 10.289 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 48.186 -37.605 9.106 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 46.757 -37.875 8.229 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 47.840 -36.663 7.736 1.00 4.30 H new ATOM 636 N LYS A 48 40.981 -32.466 8.574 1.00 2.17 N ATOM 637 CA LYS A 48 39.923 -31.849 7.789 1.00 2.20 C ATOM 638 C LYS A 48 39.546 -30.509 8.400 1.00 2.02 C ATOM 639 O LYS A 48 39.417 -29.518 7.693 1.00 1.90 O ATOM 640 CB LYS A 48 38.689 -32.755 7.706 1.00 2.54 C ATOM 641 CG LYS A 48 38.058 -32.835 6.315 1.00 3.02 C ATOM 642 CD LYS A 48 38.060 -31.493 5.582 1.00 3.19 C ATOM 643 CE LYS A 48 37.126 -30.480 6.231 1.00 3.73 C ATOM 644 NZ LYS A 48 35.919 -30.224 5.402 1.00 4.17 N ATOM 0 H LYS A 48 40.758 -33.392 8.938 1.00 2.17 H new ATOM 0 HA LYS A 48 40.295 -31.696 6.776 1.00 2.20 H new ATOM 0 HB2 LYS A 48 38.969 -33.760 8.023 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.940 -32.395 8.411 1.00 2.54 H new ATOM 0 HG2 LYS A 48 38.598 -33.570 5.718 1.00 3.02 H new ATOM 0 HG3 LYS A 48 37.032 -33.191 6.407 1.00 3.02 H new ATOM 0 HD2 LYS A 48 39.073 -31.092 5.566 1.00 3.19 H new ATOM 0 HD3 LYS A 48 37.762 -31.647 4.545 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.821 -30.844 7.212 1.00 3.73 H new ATOM 0 HE3 LYS A 48 37.661 -29.544 6.391 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.719 -29.204 5.386 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 36.087 -30.559 4.432 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.106 -30.730 5.807 1.00 4.17 H new ATOM 658 N HIS A 49 39.387 -30.485 9.724 1.00 2.10 N ATOM 659 CA HIS A 49 39.040 -29.259 10.431 1.00 2.10 C ATOM 660 C HIS A 49 39.947 -28.121 9.983 1.00 1.82 C ATOM 661 O HIS A 49 39.477 -27.069 9.548 1.00 1.72 O ATOM 662 CB HIS A 49 39.158 -29.456 11.945 1.00 2.37 C ATOM 663 CG HIS A 49 38.158 -28.662 12.722 1.00 2.66 C ATOM 664 ND1 HIS A 49 38.163 -27.288 12.798 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.089 -29.075 13.449 1.00 3.22 C ATOM 666 CE1 HIS A 49 37.119 -26.915 13.549 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.435 -27.963 13.968 1.00 3.60 N ATOM 0 H HIS A 49 39.494 -31.302 10.325 1.00 2.10 H new ATOM 0 HA HIS A 49 38.007 -29.006 10.194 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.033 -30.513 12.178 1.00 2.37 H new ATOM 0 HB3 HIS A 49 40.162 -29.176 12.264 1.00 2.37 H new ATOM 0 HD1 HIS A 49 38.841 -26.665 12.360 1.00 2.97 H new ATOM 0 HD2 HIS A 49 36.794 -30.103 13.600 1.00 3.22 H new ATOM 0 HE1 HIS A 49 36.869 -25.890 13.781 1.00 3.47 H new ATOM 675 N LYS A 50 41.254 -28.349 10.075 1.00 1.76 N ATOM 676 CA LYS A 50 42.227 -27.350 9.662 1.00 1.67 C ATOM 677 C LYS A 50 41.916 -26.874 8.246 1.00 1.49 C ATOM 678 O LYS A 50 41.888 -25.672 7.972 1.00 1.46 O ATOM 679 CB LYS A 50 43.646 -27.925 9.746 1.00 1.79 C ATOM 680 CG LYS A 50 44.703 -26.901 10.146 1.00 2.13 C ATOM 681 CD LYS A 50 45.490 -26.389 8.945 1.00 2.64 C ATOM 682 CE LYS A 50 44.968 -25.045 8.451 1.00 3.07 C ATOM 683 NZ LYS A 50 44.713 -24.094 9.570 1.00 3.17 N ATOM 0 H LYS A 50 41.660 -29.214 10.431 1.00 1.76 H new ATOM 0 HA LYS A 50 42.167 -26.494 10.334 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.655 -28.742 10.467 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.913 -28.350 8.779 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.222 -26.062 10.648 1.00 2.13 H new ATOM 0 HG3 LYS A 50 45.389 -27.351 10.863 1.00 2.13 H new ATOM 0 HD2 LYS A 50 46.542 -26.292 9.215 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.434 -27.119 8.137 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.691 -24.607 7.762 1.00 3.07 H new ATOM 0 HE3 LYS A 50 44.046 -25.199 7.890 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 44.759 -23.118 9.214 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.769 -24.273 9.969 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 45.432 -24.227 10.309 1.00 3.17 H new ATOM 697 N ARG A 51 41.654 -27.825 7.354 1.00 1.50 N ATOM 698 CA ARG A 51 41.317 -27.502 5.973 1.00 1.50 C ATOM 699 C ARG A 51 39.942 -26.842 5.903 1.00 1.38 C ATOM 700 O ARG A 51 39.655 -26.076 4.984 1.00 1.27 O ATOM 701 CB ARG A 51 41.345 -28.762 5.102 1.00 1.77 C ATOM 702 CG ARG A 51 41.767 -28.499 3.662 1.00 2.17 C ATOM 703 CD ARG A 51 41.272 -29.589 2.723 1.00 2.52 C ATOM 704 NE ARG A 51 39.829 -29.512 2.512 1.00 2.87 N ATOM 705 CZ ARG A 51 39.198 -30.070 1.483 1.00 3.47 C ATOM 706 NH1 ARG A 51 39.875 -30.762 0.576 1.00 4.13 N ATOM 707 NH2 ARG A 51 37.885 -29.940 1.364 1.00 3.79 N ATOM 0 H ARG A 51 41.669 -28.823 7.563 1.00 1.50 H new ATOM 0 HA ARG A 51 42.061 -26.803 5.592 1.00 1.50 H new ATOM 0 HB2 ARG A 51 42.029 -29.485 5.546 1.00 1.77 H new ATOM 0 HB3 ARG A 51 40.355 -29.217 5.104 1.00 1.77 H new ATOM 0 HG2 ARG A 51 41.376 -27.534 3.338 1.00 2.17 H new ATOM 0 HG3 ARG A 51 42.854 -28.437 3.607 1.00 2.17 H new ATOM 0 HD2 ARG A 51 41.784 -29.503 1.765 1.00 2.52 H new ATOM 0 HD3 ARG A 51 41.527 -30.566 3.134 1.00 2.52 H new ATOM 0 HE ARG A 51 39.271 -28.999 3.195 1.00 2.87 H new ATOM 0 HH11 ARG A 51 40.885 -30.869 0.666 1.00 4.13 H new ATOM 0 HH12 ARG A 51 39.385 -31.188 -0.211 1.00 4.13 H new ATOM 0 HH21 ARG A 51 37.359 -29.412 2.061 1.00 3.79 H new ATOM 0 HH22 ARG A 51 37.400 -30.367 0.575 1.00 3.79 H new ATOM 721 N LEU A 52 39.100 -27.138 6.889 1.00 1.51 N ATOM 722 CA LEU A 52 37.762 -26.569 6.956 1.00 1.55 C ATOM 723 C LEU A 52 37.848 -25.062 7.112 1.00 1.33 C ATOM 724 O LEU A 52 37.171 -24.318 6.406 1.00 1.22 O ATOM 725 CB LEU A 52 36.973 -27.178 8.121 1.00 1.88 C ATOM 726 CG LEU A 52 35.554 -27.645 7.777 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.890 -28.277 8.992 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.718 -26.487 7.250 1.00 2.58 C ATOM 0 H LEU A 52 39.325 -27.772 7.655 1.00 1.51 H new ATOM 0 HA LEU A 52 37.238 -26.802 6.029 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.533 -28.027 8.513 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.911 -26.441 8.921 1.00 1.88 H new ATOM 0 HG LEU A 52 35.623 -28.399 6.993 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.884 -28.602 8.729 1.00 2.90 H new ATOM 0 HD12 LEU A 52 35.475 -29.136 9.320 1.00 2.90 H new ATOM 0 HD13 LEU A 52 34.835 -27.546 9.798 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.715 -26.841 7.012 1.00 2.58 H new ATOM 0 HD22 LEU A 52 34.657 -25.707 8.009 1.00 2.58 H new ATOM 0 HD23 LEU A 52 35.183 -26.082 6.351 1.00 2.58 H new ATOM 740 N GLU A 53 38.702 -24.611 8.028 1.00 1.38 N ATOM 741 CA GLU A 53 38.882 -23.182 8.244 1.00 1.39 C ATOM 742 C GLU A 53 39.209 -22.506 6.922 1.00 1.16 C ATOM 743 O GLU A 53 38.609 -21.495 6.564 1.00 1.13 O ATOM 744 CB GLU A 53 39.999 -22.922 9.257 1.00 1.66 C ATOM 745 CG GLU A 53 39.704 -23.467 10.648 1.00 2.20 C ATOM 746 CD GLU A 53 40.724 -24.492 11.108 1.00 2.62 C ATOM 747 OE1 GLU A 53 41.934 -24.279 10.871 1.00 3.08 O ATOM 748 OE2 GLU A 53 40.312 -25.507 11.708 1.00 3.17 O ATOM 0 H GLU A 53 39.273 -25.209 8.625 1.00 1.38 H new ATOM 0 HA GLU A 53 37.956 -22.769 8.645 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.922 -23.370 8.889 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.171 -21.848 9.326 1.00 1.66 H new ATOM 0 HG2 GLU A 53 39.680 -22.641 11.359 1.00 2.20 H new ATOM 0 HG3 GLU A 53 38.713 -23.921 10.653 1.00 2.20 H new ATOM 755 N ALA A 54 40.154 -23.091 6.188 1.00 1.13 N ATOM 756 CA ALA A 54 40.544 -22.563 4.889 1.00 1.16 C ATOM 757 C ALA A 54 39.324 -22.460 3.982 1.00 0.99 C ATOM 758 O ALA A 54 39.062 -21.414 3.388 1.00 1.03 O ATOM 759 CB ALA A 54 41.611 -23.446 4.256 1.00 1.35 C ATOM 0 H ALA A 54 40.661 -23.929 6.473 1.00 1.13 H new ATOM 0 HA ALA A 54 40.963 -21.566 5.024 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.892 -23.038 3.285 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.487 -23.479 4.903 1.00 1.35 H new ATOM 0 HB3 ALA A 54 41.218 -24.454 4.126 1.00 1.35 H new ATOM 765 N GLU A 55 38.571 -23.556 3.896 1.00 0.99 N ATOM 766 CA GLU A 55 37.363 -23.595 3.082 1.00 1.06 C ATOM 767 C GLU A 55 36.447 -22.425 3.431 1.00 0.88 C ATOM 768 O GLU A 55 36.098 -21.624 2.568 1.00 0.90 O ATOM 769 CB GLU A 55 36.619 -24.920 3.290 1.00 1.35 C ATOM 770 CG GLU A 55 37.388 -26.144 2.811 1.00 1.84 C ATOM 771 CD GLU A 55 36.846 -27.442 3.384 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.615 -27.649 3.332 1.00 2.20 O ATOM 773 OE2 GLU A 55 37.652 -28.258 3.879 1.00 2.60 O ATOM 0 H GLU A 55 38.779 -24.428 4.382 1.00 0.99 H new ATOM 0 HA GLU A 55 37.654 -23.515 2.035 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.395 -25.036 4.350 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.665 -24.875 2.766 1.00 1.35 H new ATOM 0 HG2 GLU A 55 37.349 -26.189 1.723 1.00 1.84 H new ATOM 0 HG3 GLU A 55 38.437 -26.040 3.089 1.00 1.84 H new ATOM 780 N LEU A 56 36.076 -22.326 4.708 1.00 0.90 N ATOM 781 CA LEU A 56 35.208 -21.248 5.178 1.00 0.98 C ATOM 782 C LEU A 56 35.789 -19.881 4.832 1.00 0.91 C ATOM 783 O LEU A 56 35.053 -18.945 4.515 1.00 0.99 O ATOM 784 CB LEU A 56 35.008 -21.348 6.690 1.00 1.26 C ATOM 785 CG LEU A 56 34.386 -22.659 7.185 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.751 -22.898 8.644 1.00 2.67 C ATOM 787 CD2 LEU A 56 32.873 -22.639 7.003 1.00 2.55 C ATOM 0 H LEU A 56 36.364 -22.981 5.435 1.00 0.90 H new ATOM 0 HA LEU A 56 34.246 -21.354 4.676 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.974 -21.217 7.177 1.00 1.26 H new ATOM 0 HB3 LEU A 56 34.375 -20.521 7.011 1.00 1.26 H new ATOM 0 HG LEU A 56 34.787 -23.480 6.590 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.303 -23.832 8.983 1.00 2.67 H new ATOM 0 HD12 LEU A 56 35.835 -22.959 8.743 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.377 -22.075 9.252 1.00 2.67 H new ATOM 0 HD21 LEU A 56 32.451 -23.578 7.360 1.00 2.55 H new ATOM 0 HD22 LEU A 56 32.449 -21.811 7.571 1.00 2.55 H new ATOM 0 HD23 LEU A 56 32.635 -22.513 5.947 1.00 2.55 H new ATOM 799 N ALA A 57 37.111 -19.771 4.910 1.00 0.92 N ATOM 800 CA ALA A 57 37.798 -18.519 4.620 1.00 1.14 C ATOM 801 C ALA A 57 37.474 -18.019 3.219 1.00 1.08 C ATOM 802 O ALA A 57 37.371 -16.818 2.993 1.00 1.22 O ATOM 803 CB ALA A 57 39.301 -18.688 4.788 1.00 1.37 C ATOM 0 H ALA A 57 37.730 -20.538 5.173 1.00 0.92 H new ATOM 0 HA ALA A 57 37.445 -17.772 5.331 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.800 -17.744 4.568 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.521 -18.985 5.813 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.660 -19.456 4.103 1.00 1.37 H new ATOM 809 N ALA A 58 37.338 -18.944 2.276 1.00 1.03 N ATOM 810 CA ALA A 58 37.036 -18.594 0.892 1.00 1.19 C ATOM 811 C ALA A 58 35.544 -18.346 0.682 1.00 1.03 C ATOM 812 O ALA A 58 35.155 -17.517 -0.141 1.00 1.17 O ATOM 813 CB ALA A 58 37.525 -19.692 -0.041 1.00 1.43 C ATOM 0 H ALA A 58 37.432 -19.945 2.445 1.00 1.03 H new ATOM 0 HA ALA A 58 37.558 -17.665 0.662 1.00 1.19 H new ATOM 0 HB1 ALA A 58 37.295 -19.422 -1.072 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.603 -19.812 0.071 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.028 -20.629 0.208 1.00 1.43 H new ATOM 819 N HIS A 59 34.711 -19.080 1.418 1.00 0.87 N ATOM 820 CA HIS A 59 33.264 -18.956 1.295 1.00 0.90 C ATOM 821 C HIS A 59 32.759 -17.663 1.922 1.00 0.80 C ATOM 822 O HIS A 59 31.682 -17.179 1.575 1.00 0.89 O ATOM 823 CB HIS A 59 32.568 -20.151 1.951 1.00 1.13 C ATOM 824 CG HIS A 59 32.907 -21.474 1.334 1.00 1.46 C ATOM 825 ND1 HIS A 59 34.164 -21.830 0.898 1.00 2.16 N ATOM 826 CD2 HIS A 59 32.104 -22.533 1.056 1.00 1.68 C ATOM 827 CE1 HIS A 59 34.085 -23.061 0.378 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.860 -23.531 0.455 1.00 2.36 N ATOM 0 H HIS A 59 35.017 -19.768 2.107 1.00 0.87 H new ATOM 0 HA HIS A 59 33.026 -18.937 0.231 1.00 0.90 H new ATOM 0 HB2 HIS A 59 32.834 -20.177 3.008 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.489 -20.003 1.897 1.00 1.13 H new ATOM 0 HD1 HIS A 59 35.006 -21.257 0.960 1.00 2.16 H new ATOM 0 HD2 HIS A 59 31.047 -22.590 1.268 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.919 -23.598 -0.049 1.00 2.61 H new ATOM 836 N GLU A 60 33.531 -17.113 2.854 1.00 0.87 N ATOM 837 CA GLU A 60 33.139 -15.880 3.522 1.00 1.09 C ATOM 838 C GLU A 60 33.177 -14.710 2.539 1.00 1.11 C ATOM 839 O GLU A 60 32.151 -14.085 2.279 1.00 1.12 O ATOM 840 CB GLU A 60 34.036 -15.612 4.737 1.00 1.39 C ATOM 841 CG GLU A 60 33.410 -16.014 6.064 1.00 1.92 C ATOM 842 CD GLU A 60 34.213 -17.072 6.798 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.350 -18.193 6.264 1.00 3.01 O ATOM 844 OE2 GLU A 60 34.707 -16.778 7.906 1.00 2.70 O ATOM 0 H GLU A 60 34.424 -17.499 3.161 1.00 0.87 H new ATOM 0 HA GLU A 60 32.116 -15.989 3.882 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.974 -16.152 4.610 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.281 -14.550 4.769 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.315 -15.132 6.698 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.402 -16.388 5.886 1.00 1.92 H new ATOM 851 N PRO A 61 34.359 -14.393 1.971 1.00 1.23 N ATOM 852 CA PRO A 61 34.496 -13.298 1.008 1.00 1.42 C ATOM 853 C PRO A 61 33.601 -13.500 -0.207 1.00 1.32 C ATOM 854 O PRO A 61 33.093 -12.540 -0.779 1.00 1.44 O ATOM 855 CB PRO A 61 35.970 -13.361 0.589 1.00 1.60 C ATOM 856 CG PRO A 61 36.651 -14.079 1.696 1.00 1.59 C ATOM 857 CD PRO A 61 35.647 -15.061 2.225 1.00 1.29 C ATOM 0 HA PRO A 61 34.205 -12.340 1.438 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.090 -13.889 -0.357 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.385 -12.362 0.451 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.546 -14.589 1.339 1.00 1.59 H new ATOM 0 HG3 PRO A 61 36.968 -13.386 2.475 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.712 -16.020 1.711 1.00 1.29 H new ATOM 0 HD3 PRO A 61 35.796 -15.258 3.287 1.00 1.29 H new ATOM 865 N ALA A 62 33.422 -14.759 -0.601 1.00 1.18 N ATOM 866 CA ALA A 62 32.592 -15.087 -1.757 1.00 1.22 C ATOM 867 C ALA A 62 31.149 -14.641 -1.546 1.00 1.00 C ATOM 868 O ALA A 62 30.611 -13.864 -2.335 1.00 1.06 O ATOM 869 CB ALA A 62 32.647 -16.583 -2.047 1.00 1.31 C ATOM 0 H ALA A 62 33.839 -15.566 -0.138 1.00 1.18 H new ATOM 0 HA ALA A 62 32.989 -14.548 -2.617 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.023 -16.809 -2.911 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.676 -16.876 -2.256 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.282 -17.135 -1.181 1.00 1.31 H new ATOM 875 N ILE A 63 30.524 -15.138 -0.481 1.00 0.82 N ATOM 876 CA ILE A 63 29.139 -14.790 -0.185 1.00 0.73 C ATOM 877 C ILE A 63 29.008 -13.315 0.180 1.00 0.73 C ATOM 878 O ILE A 63 28.128 -12.619 -0.326 1.00 0.73 O ATOM 879 CB ILE A 63 28.557 -15.673 0.952 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.333 -17.108 0.451 1.00 1.08 C ATOM 881 CG2 ILE A 63 27.250 -15.092 1.483 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.025 -18.170 1.281 1.00 0.67 C ATOM 0 H ILE A 63 30.953 -15.779 0.187 1.00 0.82 H new ATOM 0 HA ILE A 63 28.563 -14.978 -1.091 1.00 0.73 H new ATOM 0 HB ILE A 63 29.279 -15.691 1.769 1.00 0.79 H new ATOM 0 HG12 ILE A 63 27.263 -17.313 0.438 1.00 1.08 H new ATOM 0 HG13 ILE A 63 28.684 -17.181 -0.578 1.00 1.08 H new ATOM 0 HG21 ILE A 63 26.865 -15.730 2.278 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.430 -14.091 1.876 1.00 0.96 H new ATOM 0 HG23 ILE A 63 26.521 -15.039 0.675 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.816 -19.154 0.860 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.101 -17.993 1.275 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.657 -18.128 2.306 1.00 0.67 H new ATOM 894 N GLN A 64 29.895 -12.839 1.048 1.00 0.83 N ATOM 895 CA GLN A 64 29.876 -11.441 1.468 1.00 0.95 C ATOM 896 C GLN A 64 30.016 -10.519 0.260 1.00 0.95 C ATOM 897 O GLN A 64 29.202 -9.620 0.054 1.00 0.92 O ATOM 898 CB GLN A 64 30.998 -11.170 2.475 1.00 1.17 C ATOM 899 CG GLN A 64 30.766 -11.812 3.836 1.00 1.62 C ATOM 900 CD GLN A 64 29.526 -11.281 4.531 1.00 2.58 C ATOM 901 OE1 GLN A 64 28.660 -12.047 4.954 1.00 3.24 O ATOM 902 NE2 GLN A 64 29.433 -9.962 4.652 1.00 3.27 N ATOM 0 H GLN A 64 30.634 -13.398 1.474 1.00 0.83 H new ATOM 0 HA GLN A 64 28.919 -11.239 1.950 1.00 0.95 H new ATOM 0 HB2 GLN A 64 31.939 -11.538 2.065 1.00 1.17 H new ATOM 0 HB3 GLN A 64 31.106 -10.093 2.605 1.00 1.17 H new ATOM 0 HG2 GLN A 64 30.674 -12.891 3.713 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.636 -11.636 4.469 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.174 -9.363 4.287 1.00 3.27 H new ATOM 0 HE22 GLN A 64 28.621 -9.548 5.110 1.00 3.27 H new ATOM 911 N GLY A 65 31.050 -10.755 -0.544 1.00 1.05 N ATOM 912 CA GLY A 65 31.269 -9.946 -1.726 1.00 1.14 C ATOM 913 C GLY A 65 30.008 -9.806 -2.549 1.00 0.94 C ATOM 914 O GLY A 65 29.643 -8.704 -2.953 1.00 0.94 O ATOM 0 H GLY A 65 31.739 -11.493 -0.396 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.622 -8.958 -1.431 1.00 1.14 H new ATOM 0 HA3 GLY A 65 32.053 -10.396 -2.335 1.00 1.14 H new ATOM 918 N VAL A 66 29.324 -10.924 -2.783 1.00 0.83 N ATOM 919 CA VAL A 66 28.089 -10.898 -3.555 1.00 0.72 C ATOM 920 C VAL A 66 27.045 -10.038 -2.842 1.00 0.59 C ATOM 921 O VAL A 66 26.419 -9.171 -3.452 1.00 0.56 O ATOM 922 CB VAL A 66 27.548 -12.329 -3.802 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.049 -12.422 -3.534 1.00 1.46 C ATOM 924 CG2 VAL A 66 27.869 -12.784 -5.221 1.00 1.22 C ATOM 0 H VAL A 66 29.602 -11.848 -2.452 1.00 0.83 H new ATOM 0 HA VAL A 66 28.303 -10.457 -4.529 1.00 0.72 H new ATOM 0 HB VAL A 66 28.047 -12.995 -3.098 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.709 -13.441 -3.719 1.00 1.46 H new ATOM 0 HG12 VAL A 66 25.848 -12.155 -2.497 1.00 1.46 H new ATOM 0 HG13 VAL A 66 25.518 -11.737 -4.195 1.00 1.46 H new ATOM 0 HG21 VAL A 66 27.482 -13.791 -5.377 1.00 1.22 H new ATOM 0 HG22 VAL A 66 27.406 -12.103 -5.935 1.00 1.22 H new ATOM 0 HG23 VAL A 66 28.949 -12.784 -5.367 1.00 1.22 H new ATOM 934 N LEU A 67 26.887 -10.260 -1.537 1.00 0.58 N ATOM 935 CA LEU A 67 25.938 -9.484 -0.745 1.00 0.62 C ATOM 936 C LEU A 67 26.179 -7.997 -0.961 1.00 0.69 C ATOM 937 O LEU A 67 25.263 -7.251 -1.308 1.00 0.71 O ATOM 938 CB LEU A 67 26.058 -9.831 0.746 1.00 0.74 C ATOM 939 CG LEU A 67 25.096 -9.072 1.670 1.00 1.29 C ATOM 940 CD1 LEU A 67 24.591 -9.981 2.782 1.00 2.13 C ATOM 941 CD2 LEU A 67 25.775 -7.839 2.253 1.00 1.90 C ATOM 0 H LEU A 67 27.401 -10.966 -1.010 1.00 0.58 H new ATOM 0 HA LEU A 67 24.928 -9.734 -1.071 1.00 0.62 H new ATOM 0 HB2 LEU A 67 25.888 -10.901 0.869 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.080 -9.632 1.068 1.00 0.74 H new ATOM 0 HG LEU A 67 24.240 -8.746 1.079 1.00 1.29 H new ATOM 0 HD11 LEU A 67 23.910 -9.424 3.426 1.00 2.13 H new ATOM 0 HD12 LEU A 67 24.065 -10.831 2.347 1.00 2.13 H new ATOM 0 HD13 LEU A 67 25.436 -10.340 3.370 1.00 2.13 H new ATOM 0 HD21 LEU A 67 25.077 -7.314 2.905 1.00 1.90 H new ATOM 0 HD22 LEU A 67 26.650 -8.143 2.827 1.00 1.90 H new ATOM 0 HD23 LEU A 67 26.084 -7.177 1.444 1.00 1.90 H new ATOM 953 N ASP A 68 27.424 -7.574 -0.768 1.00 0.79 N ATOM 954 CA ASP A 68 27.791 -6.177 -0.958 1.00 0.94 C ATOM 955 C ASP A 68 27.419 -5.724 -2.367 1.00 0.86 C ATOM 956 O ASP A 68 26.778 -4.689 -2.546 1.00 0.91 O ATOM 957 CB ASP A 68 29.289 -5.969 -0.705 1.00 1.12 C ATOM 958 CG ASP A 68 29.567 -5.421 0.684 1.00 1.55 C ATOM 959 OD1 ASP A 68 28.928 -4.414 1.063 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.418 -5.997 1.392 1.00 2.24 O ATOM 0 H ASP A 68 28.194 -8.178 -0.481 1.00 0.79 H new ATOM 0 HA ASP A 68 27.239 -5.573 -0.238 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.812 -6.917 -0.831 1.00 1.12 H new ATOM 0 HB3 ASP A 68 29.690 -5.283 -1.451 1.00 1.12 H new ATOM 965 N THR A 69 27.812 -6.514 -3.366 1.00 0.80 N ATOM 966 CA THR A 69 27.502 -6.198 -4.757 1.00 0.80 C ATOM 967 C THR A 69 26.010 -5.920 -4.918 1.00 0.67 C ATOM 968 O THR A 69 25.618 -4.916 -5.510 1.00 0.73 O ATOM 969 CB THR A 69 27.928 -7.342 -5.680 1.00 0.86 C ATOM 970 OG1 THR A 69 29.305 -7.627 -5.517 1.00 1.02 O ATOM 971 CG2 THR A 69 27.692 -7.050 -7.146 1.00 0.94 C ATOM 0 H THR A 69 28.344 -7.375 -3.237 1.00 0.80 H new ATOM 0 HA THR A 69 28.059 -5.304 -5.036 1.00 0.80 H new ATOM 0 HB THR A 69 27.309 -8.192 -5.392 1.00 0.86 H new ATOM 0 HG1 THR A 69 29.448 -8.064 -4.651 1.00 1.02 H new ATOM 0 HG21 THR A 69 28.016 -7.902 -7.743 1.00 0.94 H new ATOM 0 HG22 THR A 69 26.630 -6.871 -7.315 1.00 0.94 H new ATOM 0 HG23 THR A 69 28.260 -6.166 -7.437 1.00 0.94 H new ATOM 979 N GLY A 70 25.177 -6.814 -4.382 1.00 0.57 N ATOM 980 CA GLY A 70 23.741 -6.622 -4.473 1.00 0.59 C ATOM 981 C GLY A 70 23.339 -5.244 -3.990 1.00 0.69 C ATOM 982 O GLY A 70 22.630 -4.513 -4.682 1.00 0.79 O ATOM 0 H GLY A 70 25.470 -7.659 -3.892 1.00 0.57 H new ATOM 0 HA2 GLY A 70 23.419 -6.756 -5.506 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.232 -7.381 -3.879 1.00 0.59 H new ATOM 986 N LYS A 71 23.817 -4.883 -2.801 1.00 0.76 N ATOM 987 CA LYS A 71 23.530 -3.574 -2.230 1.00 0.94 C ATOM 988 C LYS A 71 23.990 -2.482 -3.191 1.00 0.99 C ATOM 989 O LYS A 71 23.361 -1.429 -3.307 1.00 1.12 O ATOM 990 CB LYS A 71 24.227 -3.423 -0.869 1.00 1.05 C ATOM 991 CG LYS A 71 24.232 -1.998 -0.325 1.00 1.35 C ATOM 992 CD LYS A 71 25.475 -1.222 -0.750 1.00 1.91 C ATOM 993 CE LYS A 71 26.765 -1.894 -0.294 1.00 2.53 C ATOM 994 NZ LYS A 71 26.651 -2.476 1.073 1.00 3.25 N ATOM 0 H LYS A 71 24.404 -5.479 -2.217 1.00 0.76 H new ATOM 0 HA LYS A 71 22.455 -3.479 -2.076 1.00 0.94 H new ATOM 0 HB2 LYS A 71 23.735 -4.074 -0.147 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.257 -3.769 -0.960 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.342 -1.475 -0.675 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.178 -2.026 0.763 1.00 1.35 H new ATOM 0 HD2 LYS A 71 25.484 -1.123 -1.835 1.00 1.91 H new ATOM 0 HD3 LYS A 71 25.429 -0.214 -0.338 1.00 1.91 H new ATOM 0 HE2 LYS A 71 27.030 -2.681 -1.000 1.00 2.53 H new ATOM 0 HE3 LYS A 71 27.576 -1.166 -0.309 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 27.587 -2.800 1.392 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 26.293 -1.753 1.729 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 25.994 -3.282 1.054 1.00 3.25 H new ATOM 1008 N LYS A 72 25.093 -2.753 -3.886 1.00 0.95 N ATOM 1009 CA LYS A 72 25.646 -1.807 -4.849 1.00 1.08 C ATOM 1010 C LYS A 72 24.629 -1.507 -5.945 1.00 1.06 C ATOM 1011 O LYS A 72 24.345 -0.347 -6.240 1.00 1.26 O ATOM 1012 CB LYS A 72 26.940 -2.357 -5.460 1.00 1.14 C ATOM 1013 CG LYS A 72 28.007 -1.295 -5.694 1.00 1.49 C ATOM 1014 CD LYS A 72 28.200 -1.002 -7.176 1.00 2.07 C ATOM 1015 CE LYS A 72 28.462 0.476 -7.423 1.00 2.89 C ATOM 1016 NZ LYS A 72 27.285 1.316 -7.069 1.00 3.71 N ATOM 0 H LYS A 72 25.621 -3.621 -3.799 1.00 0.95 H new ATOM 0 HA LYS A 72 25.877 -0.879 -4.326 1.00 1.08 H new ATOM 0 HB2 LYS A 72 27.344 -3.126 -4.802 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.707 -2.840 -6.409 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.726 -0.378 -5.176 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.951 -1.628 -5.264 1.00 1.49 H new ATOM 0 HD2 LYS A 72 29.035 -1.589 -7.558 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.313 -1.312 -7.728 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.324 0.794 -6.837 1.00 2.89 H new ATOM 0 HE3 LYS A 72 28.715 0.629 -8.472 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 27.077 1.970 -7.851 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 26.461 0.705 -6.900 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 27.494 1.861 -6.208 1.00 3.71 H new ATOM 1030 N LEU A 73 24.073 -2.562 -6.537 1.00 0.89 N ATOM 1031 CA LEU A 73 23.076 -2.412 -7.594 1.00 0.98 C ATOM 1032 C LEU A 73 21.981 -1.441 -7.159 1.00 1.14 C ATOM 1033 O LEU A 73 21.514 -0.616 -7.944 1.00 1.32 O ATOM 1034 CB LEU A 73 22.456 -3.769 -7.946 1.00 0.97 C ATOM 1035 CG LEU A 73 23.451 -4.859 -8.363 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.837 -6.243 -8.185 1.00 0.96 C ATOM 1037 CD2 LEU A 73 23.900 -4.657 -9.803 1.00 1.52 C ATOM 0 H LEU A 73 24.296 -3.529 -6.303 1.00 0.89 H new ATOM 0 HA LEU A 73 23.574 -2.013 -8.478 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.892 -4.126 -7.084 1.00 0.97 H new ATOM 0 HB3 LEU A 73 21.742 -3.624 -8.756 1.00 0.97 H new ATOM 0 HG LEU A 73 24.326 -4.785 -7.718 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.558 -7.003 -8.486 1.00 0.96 H new ATOM 0 HD12 LEU A 73 22.570 -6.391 -7.139 1.00 0.96 H new ATOM 0 HD13 LEU A 73 21.943 -6.327 -8.803 1.00 0.96 H new ATOM 0 HD21 LEU A 73 24.605 -5.441 -10.078 1.00 1.52 H new ATOM 0 HD22 LEU A 73 23.034 -4.700 -10.464 1.00 1.52 H new ATOM 0 HD23 LEU A 73 24.383 -3.685 -9.901 1.00 1.52 H new ATOM 1049 N SER A 74 21.572 -1.558 -5.899 1.00 1.13 N ATOM 1050 CA SER A 74 20.531 -0.704 -5.344 1.00 1.36 C ATOM 1051 C SER A 74 20.907 0.775 -5.433 1.00 1.52 C ATOM 1052 O SER A 74 20.104 1.596 -5.872 1.00 1.76 O ATOM 1053 CB SER A 74 20.257 -1.088 -3.888 1.00 1.37 C ATOM 1054 OG SER A 74 18.923 -0.781 -3.521 1.00 1.67 O ATOM 0 H SER A 74 21.949 -2.240 -5.241 1.00 1.13 H new ATOM 0 HA SER A 74 19.628 -0.854 -5.935 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.439 -2.154 -3.749 1.00 1.37 H new ATOM 0 HB3 SER A 74 20.949 -0.558 -3.233 1.00 1.37 H new ATOM 0 HG SER A 74 18.923 -0.277 -2.681 1.00 1.67 H new ATOM 1060 N ASP A 75 22.123 1.117 -5.002 1.00 1.47 N ATOM 1061 CA ASP A 75 22.570 2.509 -5.031 1.00 1.71 C ATOM 1062 C ASP A 75 22.651 3.033 -6.464 1.00 1.86 C ATOM 1063 O ASP A 75 22.312 4.187 -6.729 1.00 2.14 O ATOM 1064 CB ASP A 75 23.917 2.674 -4.305 1.00 1.72 C ATOM 1065 CG ASP A 75 23.791 3.166 -2.871 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.208 2.444 -2.036 1.00 2.34 O ATOM 1067 OD2 ASP A 75 24.298 4.269 -2.578 1.00 2.15 O ATOM 0 H ASP A 75 22.808 0.457 -4.633 1.00 1.47 H new ATOM 0 HA ASP A 75 21.829 3.106 -4.500 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.438 1.716 -4.305 1.00 1.72 H new ATOM 0 HB3 ASP A 75 24.537 3.374 -4.865 1.00 1.72 H new ATOM 1072 N ASP A 76 23.098 2.180 -7.385 1.00 1.77 N ATOM 1073 CA ASP A 76 23.212 2.567 -8.790 1.00 2.01 C ATOM 1074 C ASP A 76 21.849 2.967 -9.341 1.00 1.98 C ATOM 1075 O ASP A 76 21.706 4.000 -9.996 1.00 2.28 O ATOM 1076 CB ASP A 76 23.787 1.418 -9.622 1.00 2.20 C ATOM 1077 CG ASP A 76 25.215 1.084 -9.242 1.00 2.36 C ATOM 1078 OD1 ASP A 76 26.108 1.921 -9.495 1.00 2.64 O ATOM 1079 OD2 ASP A 76 25.442 -0.013 -8.692 1.00 2.89 O ATOM 0 H ASP A 76 23.385 1.222 -7.185 1.00 1.77 H new ATOM 0 HA ASP A 76 23.888 3.420 -8.853 1.00 2.01 H new ATOM 0 HB2 ASP A 76 23.164 0.533 -9.493 1.00 2.20 H new ATOM 0 HB3 ASP A 76 23.748 1.684 -10.678 1.00 2.20 H new ATOM 1084 N ASN A 77 20.850 2.133 -9.068 1.00 1.87 N ATOM 1085 CA ASN A 77 19.487 2.380 -9.523 1.00 2.13 C ATOM 1086 C ASN A 77 18.498 1.612 -8.654 1.00 1.92 C ATOM 1087 O ASN A 77 18.130 0.479 -8.964 1.00 2.30 O ATOM 1088 CB ASN A 77 19.326 1.978 -10.992 1.00 3.00 C ATOM 1089 CG ASN A 77 17.911 2.189 -11.501 1.00 3.68 C ATOM 1090 OD1 ASN A 77 17.044 1.331 -11.332 1.00 3.93 O ATOM 1091 ND2 ASN A 77 17.669 3.335 -12.123 1.00 4.42 N ATOM 0 H ASN A 77 20.961 1.274 -8.530 1.00 1.87 H new ATOM 0 HA ASN A 77 19.281 3.447 -9.435 1.00 2.13 H new ATOM 0 HB2 ASN A 77 20.018 2.558 -11.602 1.00 3.00 H new ATOM 0 HB3 ASN A 77 19.599 0.929 -11.110 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.735 3.533 -12.483 1.00 4.42 H new ATOM 0 HD22 ASN A 77 18.417 4.019 -12.242 1.00 4.42 H new ATOM 1098 N THR A 78 18.081 2.235 -7.556 1.00 2.42 N ATOM 1099 CA THR A 78 17.143 1.614 -6.627 1.00 3.13 C ATOM 1100 C THR A 78 15.867 1.171 -7.340 1.00 3.07 C ATOM 1101 O THR A 78 15.315 1.901 -8.165 1.00 3.33 O ATOM 1102 CB THR A 78 16.797 2.585 -5.491 1.00 4.02 C ATOM 1103 OG1 THR A 78 17.611 3.742 -5.551 1.00 4.29 O ATOM 1104 CG2 THR A 78 16.963 1.980 -4.113 1.00 4.87 C ATOM 0 H THR A 78 18.379 3.173 -7.287 1.00 2.42 H new ATOM 0 HA THR A 78 17.624 0.730 -6.209 1.00 3.13 H new ATOM 0 HB THR A 78 15.746 2.834 -5.638 1.00 4.02 H new ATOM 0 HG1 THR A 78 17.373 4.348 -4.819 1.00 4.29 H new ATOM 0 HG21 THR A 78 16.702 2.720 -3.357 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.308 1.114 -4.015 1.00 4.87 H new ATOM 0 HG23 THR A 78 17.999 1.669 -3.974 1.00 4.87 H new ATOM 1112 N ILE A 79 15.403 -0.032 -7.003 1.00 3.06 N ATOM 1113 CA ILE A 79 14.187 -0.591 -7.586 1.00 3.21 C ATOM 1114 C ILE A 79 13.397 -1.336 -6.518 1.00 2.90 C ATOM 1115 O ILE A 79 12.277 -0.953 -6.174 1.00 3.08 O ATOM 1116 CB ILE A 79 14.496 -1.559 -8.752 1.00 3.81 C ATOM 1117 CG1 ILE A 79 15.221 -0.821 -9.884 1.00 4.11 C ATOM 1118 CG2 ILE A 79 13.211 -2.200 -9.266 1.00 4.49 C ATOM 1119 CD1 ILE A 79 15.372 -1.636 -11.149 1.00 4.56 C ATOM 0 H ILE A 79 15.857 -0.642 -6.323 1.00 3.06 H new ATOM 0 HA ILE A 79 13.603 0.241 -7.980 1.00 3.21 H new ATOM 0 HB ILE A 79 15.151 -2.348 -8.383 1.00 3.81 H new ATOM 0 HG12 ILE A 79 14.676 0.094 -10.116 1.00 4.11 H new ATOM 0 HG13 ILE A 79 16.210 -0.523 -9.535 1.00 4.11 H new ATOM 0 HG21 ILE A 79 13.446 -2.878 -10.086 1.00 4.49 H new ATOM 0 HG22 ILE A 79 12.734 -2.757 -8.459 1.00 4.49 H new ATOM 0 HG23 ILE A 79 12.533 -1.423 -9.620 1.00 4.49 H new ATOM 0 HD11 ILE A 79 15.894 -1.046 -11.902 1.00 4.56 H new ATOM 0 HD12 ILE A 79 15.944 -2.538 -10.934 1.00 4.56 H new ATOM 0 HD13 ILE A 79 14.386 -1.912 -11.524 1.00 4.56 H new ATOM 1131 N GLY A 80 13.999 -2.397 -5.991 1.00 2.87 N ATOM 1132 CA GLY A 80 13.364 -3.190 -4.957 1.00 2.77 C ATOM 1133 C GLY A 80 14.351 -3.629 -3.895 1.00 2.49 C ATOM 1134 O GLY A 80 14.506 -4.823 -3.638 1.00 2.38 O ATOM 0 H GLY A 80 14.925 -2.724 -6.266 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.566 -2.610 -4.493 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.900 -4.068 -5.406 1.00 2.77 H new ATOM 1138 N LYS A 81 15.023 -2.656 -3.280 1.00 2.47 N ATOM 1139 CA LYS A 81 16.015 -2.936 -2.240 1.00 2.30 C ATOM 1140 C LYS A 81 15.547 -4.041 -1.289 1.00 2.13 C ATOM 1141 O LYS A 81 16.306 -4.958 -0.980 1.00 1.92 O ATOM 1142 CB LYS A 81 16.346 -1.662 -1.452 1.00 2.45 C ATOM 1143 CG LYS A 81 15.125 -0.885 -0.974 1.00 2.98 C ATOM 1144 CD LYS A 81 14.840 -1.130 0.503 1.00 3.54 C ATOM 1145 CE LYS A 81 13.871 -0.101 1.069 1.00 4.27 C ATOM 1146 NZ LYS A 81 12.451 -0.481 0.832 1.00 4.40 N ATOM 0 H LYS A 81 14.899 -1.664 -3.484 1.00 2.47 H new ATOM 0 HA LYS A 81 16.917 -3.289 -2.739 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.952 -1.931 -0.587 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.955 -1.010 -2.078 1.00 2.45 H new ATOM 0 HG2 LYS A 81 15.284 0.180 -1.142 1.00 2.98 H new ATOM 0 HG3 LYS A 81 14.256 -1.175 -1.565 1.00 2.98 H new ATOM 0 HD2 LYS A 81 14.425 -2.130 0.632 1.00 3.54 H new ATOM 0 HD3 LYS A 81 15.774 -1.097 1.064 1.00 3.54 H new ATOM 0 HE2 LYS A 81 14.043 0.008 2.140 1.00 4.27 H new ATOM 0 HE3 LYS A 81 14.067 0.870 0.614 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 11.828 0.292 1.141 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 12.304 -0.659 -0.182 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 12.227 -1.342 1.371 1.00 4.40 H new ATOM 1160 N GLU A 82 14.299 -3.957 -0.836 1.00 2.24 N ATOM 1161 CA GLU A 82 13.751 -4.962 0.069 1.00 2.14 C ATOM 1162 C GLU A 82 13.795 -6.346 -0.575 1.00 1.94 C ATOM 1163 O GLU A 82 14.272 -7.307 0.031 1.00 1.76 O ATOM 1164 CB GLU A 82 12.314 -4.606 0.478 1.00 2.37 C ATOM 1165 CG GLU A 82 11.412 -4.203 -0.682 1.00 2.74 C ATOM 1166 CD GLU A 82 11.229 -2.703 -0.788 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.142 -2.032 -1.307 1.00 2.89 O ATOM 1168 OE2 GLU A 82 10.179 -2.197 -0.342 1.00 3.00 O ATOM 0 H GLU A 82 13.651 -3.207 -1.079 1.00 2.24 H new ATOM 0 HA GLU A 82 14.367 -4.978 0.968 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.871 -5.462 0.987 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.346 -3.789 1.199 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.835 -4.580 -1.613 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.438 -4.676 -0.560 1.00 2.74 H new ATOM 1175 N GLU A 83 13.308 -6.440 -1.811 1.00 2.03 N ATOM 1176 CA GLU A 83 13.306 -7.701 -2.542 1.00 1.94 C ATOM 1177 C GLU A 83 14.707 -8.300 -2.564 1.00 1.73 C ATOM 1178 O GLU A 83 14.898 -9.478 -2.256 1.00 1.57 O ATOM 1179 CB GLU A 83 12.803 -7.485 -3.973 1.00 2.17 C ATOM 1180 CG GLU A 83 12.107 -8.699 -4.570 1.00 2.39 C ATOM 1181 CD GLU A 83 13.058 -9.855 -4.811 1.00 2.51 C ATOM 1182 OE1 GLU A 83 13.813 -9.805 -5.805 1.00 2.94 O ATOM 1183 OE2 GLU A 83 13.048 -10.813 -4.008 1.00 2.93 O ATOM 0 H GLU A 83 12.909 -5.655 -2.326 1.00 2.03 H new ATOM 0 HA GLU A 83 12.635 -8.395 -2.036 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.113 -6.641 -3.982 1.00 2.17 H new ATOM 0 HB3 GLU A 83 13.647 -7.213 -4.607 1.00 2.17 H new ATOM 0 HG2 GLU A 83 11.310 -9.022 -3.900 1.00 2.39 H new ATOM 0 HG3 GLU A 83 11.637 -8.417 -5.512 1.00 2.39 H new ATOM 1190 N ILE A 84 15.689 -7.475 -2.916 1.00 1.75 N ATOM 1191 CA ILE A 84 17.075 -7.919 -2.961 1.00 1.60 C ATOM 1192 C ILE A 84 17.488 -8.486 -1.609 1.00 1.38 C ATOM 1193 O ILE A 84 17.978 -9.612 -1.515 1.00 1.22 O ATOM 1194 CB ILE A 84 18.031 -6.769 -3.348 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.595 -6.140 -4.677 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.465 -7.278 -3.436 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.614 -5.186 -5.265 1.00 2.47 C ATOM 0 H ILE A 84 15.549 -6.498 -3.173 1.00 1.75 H new ATOM 0 HA ILE A 84 17.146 -8.693 -3.725 1.00 1.60 H new ATOM 0 HB ILE A 84 17.988 -6.002 -2.575 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.397 -6.934 -5.397 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.657 -5.606 -4.525 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.127 -6.456 -3.710 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.768 -7.681 -2.470 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.527 -8.061 -4.192 1.00 1.57 H new ATOM 0 HD11 ILE A 84 18.235 -4.782 -6.203 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.795 -4.370 -4.565 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.547 -5.719 -5.450 1.00 2.47 H new ATOM 1209 N GLN A 85 17.271 -7.698 -0.559 1.00 1.45 N ATOM 1210 CA GLN A 85 17.607 -8.114 0.796 1.00 1.35 C ATOM 1211 C GLN A 85 17.001 -9.480 1.107 1.00 1.19 C ATOM 1212 O GLN A 85 17.647 -10.324 1.719 1.00 1.05 O ATOM 1213 CB GLN A 85 17.124 -7.068 1.809 1.00 1.56 C ATOM 1214 CG GLN A 85 17.142 -7.554 3.253 1.00 1.77 C ATOM 1215 CD GLN A 85 15.818 -8.145 3.717 1.00 2.36 C ATOM 1216 OE1 GLN A 85 14.855 -8.274 2.808 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 15.663 -8.487 4.889 1.00 3.13 N flip ATOM 0 H GLN A 85 16.863 -6.766 -0.623 1.00 1.45 H new ATOM 0 HA GLN A 85 18.691 -8.197 0.872 1.00 1.35 H new ATOM 0 HB2 GLN A 85 17.751 -6.180 1.727 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.109 -6.767 1.550 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.924 -8.305 3.364 1.00 1.77 H new ATOM 0 HG3 GLN A 85 17.406 -6.721 3.904 1.00 1.77 H new ATOM 0 HE21 GLN A 85 16.424 -8.373 5.558 1.00 3.13 H new ATOM 0 HE22 GLN A 85 14.773 -8.884 5.191 1.00 3.13 H new ATOM 1226 N GLN A 86 15.759 -9.687 0.682 1.00 1.26 N ATOM 1227 CA GLN A 86 15.074 -10.956 0.915 1.00 1.18 C ATOM 1228 C GLN A 86 15.822 -12.105 0.243 1.00 1.03 C ATOM 1229 O GLN A 86 16.104 -13.126 0.871 1.00 0.90 O ATOM 1230 CB GLN A 86 13.633 -10.888 0.394 1.00 1.37 C ATOM 1231 CG GLN A 86 12.617 -11.560 1.306 1.00 1.47 C ATOM 1232 CD GLN A 86 12.615 -10.980 2.708 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.352 -9.794 2.902 1.00 2.90 O ATOM 1234 NE2 GLN A 86 12.912 -11.817 3.695 1.00 3.09 N ATOM 0 H GLN A 86 15.206 -8.995 0.176 1.00 1.26 H new ATOM 0 HA GLN A 86 15.052 -11.140 1.989 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.353 -9.843 0.262 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.590 -11.356 -0.589 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.622 -11.457 0.873 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.832 -12.627 1.359 1.00 1.47 H new ATOM 0 HE21 GLN A 86 13.124 -12.793 3.489 1.00 3.09 H new ATOM 0 HE22 GLN A 86 12.928 -11.484 4.659 1.00 3.09 H new ATOM 1243 N ARG A 87 16.139 -11.929 -1.037 1.00 1.11 N ATOM 1244 CA ARG A 87 16.856 -12.951 -1.799 1.00 1.09 C ATOM 1245 C ARG A 87 18.235 -13.217 -1.198 1.00 0.91 C ATOM 1246 O ARG A 87 18.636 -14.370 -1.028 1.00 0.87 O ATOM 1247 CB ARG A 87 16.991 -12.524 -3.268 1.00 1.29 C ATOM 1248 CG ARG A 87 16.538 -13.585 -4.264 1.00 1.78 C ATOM 1249 CD ARG A 87 15.035 -13.535 -4.500 1.00 2.22 C ATOM 1250 NE ARG A 87 14.667 -12.567 -5.534 1.00 2.81 N ATOM 1251 CZ ARG A 87 14.499 -12.877 -6.819 1.00 3.73 C ATOM 1252 NH1 ARG A 87 14.696 -14.122 -7.234 1.00 4.21 N ATOM 1253 NH2 ARG A 87 14.127 -11.946 -7.686 1.00 4.43 N ATOM 0 H ARG A 87 15.911 -11.089 -1.569 1.00 1.11 H new ATOM 0 HA ARG A 87 16.280 -13.875 -1.751 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.408 -11.617 -3.428 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.032 -12.272 -3.469 1.00 1.29 H new ATOM 0 HG2 ARG A 87 17.059 -13.441 -5.210 1.00 1.78 H new ATOM 0 HG3 ARG A 87 16.815 -14.572 -3.894 1.00 1.78 H new ATOM 0 HD2 ARG A 87 14.682 -14.525 -4.790 1.00 2.22 H new ATOM 0 HD3 ARG A 87 14.532 -13.277 -3.568 1.00 2.22 H new ATOM 0 HE ARG A 87 14.531 -11.596 -5.254 1.00 2.81 H new ATOM 0 HH11 ARG A 87 14.976 -14.843 -6.569 1.00 4.21 H new ATOM 0 HH12 ARG A 87 14.567 -14.358 -8.218 1.00 4.21 H new ATOM 0 HH21 ARG A 87 13.969 -10.989 -7.370 1.00 4.43 H new ATOM 0 HH22 ARG A 87 13.999 -12.186 -8.669 1.00 4.43 H new ATOM 1267 N LEU A 88 18.963 -12.151 -0.879 1.00 0.87 N ATOM 1268 CA LEU A 88 20.292 -12.290 -0.297 1.00 0.78 C ATOM 1269 C LEU A 88 20.202 -12.903 1.096 1.00 0.71 C ATOM 1270 O LEU A 88 21.061 -13.687 1.500 1.00 0.67 O ATOM 1271 CB LEU A 88 20.998 -10.932 -0.234 1.00 0.86 C ATOM 1272 CG LEU A 88 22.447 -10.931 -0.735 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.266 -11.992 -0.012 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.494 -11.152 -2.241 1.00 1.90 C ATOM 0 H LEU A 88 18.657 -11.187 -1.013 1.00 0.87 H new ATOM 0 HA LEU A 88 20.876 -12.954 -0.934 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.426 -10.214 -0.822 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.986 -10.581 0.798 1.00 0.86 H new ATOM 0 HG LEU A 88 22.883 -9.956 -0.518 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.291 -11.975 -0.382 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.263 -11.787 1.059 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.831 -12.975 -0.194 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.531 -11.148 -2.577 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.038 -12.112 -2.482 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.947 -10.354 -2.743 1.00 1.90 H new ATOM 1286 N ALA A 89 19.148 -12.545 1.824 1.00 0.77 N ATOM 1287 CA ALA A 89 18.936 -13.063 3.165 1.00 0.81 C ATOM 1288 C ALA A 89 18.904 -14.583 3.148 1.00 0.74 C ATOM 1289 O ALA A 89 19.456 -15.228 4.031 1.00 0.77 O ATOM 1290 CB ALA A 89 17.649 -12.507 3.758 1.00 0.97 C ATOM 0 H ALA A 89 18.428 -11.897 1.504 1.00 0.77 H new ATOM 0 HA ALA A 89 19.767 -12.742 3.793 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.509 -12.907 4.762 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.710 -11.420 3.806 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.805 -12.796 3.131 1.00 0.97 H new ATOM 1296 N GLN A 90 18.272 -15.156 2.126 1.00 0.73 N ATOM 1297 CA GLN A 90 18.195 -16.609 2.007 1.00 0.79 C ATOM 1298 C GLN A 90 19.596 -17.211 1.959 1.00 0.73 C ATOM 1299 O GLN A 90 19.904 -18.163 2.676 1.00 0.79 O ATOM 1300 CB GLN A 90 17.408 -17.005 0.755 1.00 0.90 C ATOM 1301 CG GLN A 90 15.911 -16.752 0.873 1.00 1.35 C ATOM 1302 CD GLN A 90 15.299 -16.231 -0.413 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.536 -15.264 -0.404 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.631 -16.869 -1.528 1.00 2.72 N ATOM 0 H GLN A 90 17.810 -14.642 1.376 1.00 0.73 H new ATOM 0 HA GLN A 90 17.674 -16.999 2.882 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.796 -16.450 -0.099 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.575 -18.063 0.550 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.412 -17.678 1.158 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.731 -16.034 1.673 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.267 -17.666 -1.490 1.00 2.72 H new ATOM 0 HE22 GLN A 90 15.251 -16.563 -2.423 1.00 2.72 H new ATOM 1313 N PHE A 91 20.440 -16.644 1.107 1.00 0.66 N ATOM 1314 CA PHE A 91 21.815 -17.110 0.946 1.00 0.67 C ATOM 1315 C PHE A 91 22.530 -17.190 2.290 1.00 0.67 C ATOM 1316 O PHE A 91 23.115 -18.220 2.630 1.00 0.74 O ATOM 1317 CB PHE A 91 22.563 -16.160 0.002 1.00 0.65 C ATOM 1318 CG PHE A 91 23.864 -16.673 -0.568 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.040 -18.032 -0.759 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.919 -15.823 -0.864 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.233 -18.535 -1.238 1.00 0.92 C ATOM 1322 CE2 PHE A 91 26.116 -16.322 -1.338 1.00 1.19 C ATOM 1323 CZ PHE A 91 26.243 -17.552 -1.710 1.00 0.90 C ATOM 0 H PHE A 91 20.195 -15.853 0.511 1.00 0.66 H new ATOM 0 HA PHE A 91 21.798 -18.113 0.520 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.901 -15.910 -0.827 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.766 -15.233 0.539 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.231 -18.710 -0.530 1.00 0.93 H new ATOM 0 HD2 PHE A 91 24.803 -14.759 -0.722 1.00 1.03 H new ATOM 0 HE1 PHE A 91 25.424 -19.597 -1.268 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.971 -15.665 -1.399 1.00 1.19 H new ATOM 0 HZ PHE A 91 27.060 -17.858 -2.346 1.00 0.90 H new ATOM 1333 N VAL A 92 22.487 -16.103 3.056 1.00 0.64 N ATOM 1334 CA VAL A 92 23.147 -16.082 4.353 1.00 0.72 C ATOM 1335 C VAL A 92 22.566 -17.161 5.265 1.00 0.77 C ATOM 1336 O VAL A 92 23.310 -17.897 5.905 1.00 0.86 O ATOM 1337 CB VAL A 92 23.069 -14.692 5.035 1.00 0.77 C ATOM 1338 CG1 VAL A 92 21.853 -14.568 5.942 1.00 1.37 C ATOM 1339 CG2 VAL A 92 24.346 -14.420 5.820 1.00 0.86 C ATOM 0 H VAL A 92 22.009 -15.238 2.804 1.00 0.64 H new ATOM 0 HA VAL A 92 24.202 -16.292 4.179 1.00 0.72 H new ATOM 0 HB VAL A 92 22.964 -13.945 4.248 1.00 0.77 H new ATOM 0 HG11 VAL A 92 21.839 -13.578 6.399 1.00 1.37 H new ATOM 0 HG12 VAL A 92 20.945 -14.710 5.355 1.00 1.37 H new ATOM 0 HG13 VAL A 92 21.903 -15.327 6.723 1.00 1.37 H new ATOM 0 HG21 VAL A 92 24.280 -13.441 6.295 1.00 0.86 H new ATOM 0 HG22 VAL A 92 24.473 -15.186 6.585 1.00 0.86 H new ATOM 0 HG23 VAL A 92 25.200 -14.438 5.143 1.00 0.86 H new ATOM 1349 N ASP A 93 21.238 -17.278 5.294 1.00 0.77 N ATOM 1350 CA ASP A 93 20.585 -18.293 6.118 1.00 0.86 C ATOM 1351 C ASP A 93 21.172 -19.668 5.833 1.00 0.91 C ATOM 1352 O ASP A 93 21.578 -20.379 6.752 1.00 1.00 O ATOM 1353 CB ASP A 93 19.069 -18.320 5.881 1.00 0.90 C ATOM 1354 CG ASP A 93 18.528 -19.719 5.645 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.309 -20.597 5.219 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.321 -19.934 5.881 1.00 1.55 O ATOM 0 H ASP A 93 20.599 -16.688 4.761 1.00 0.77 H new ATOM 0 HA ASP A 93 20.764 -18.032 7.161 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.565 -17.882 6.743 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.831 -17.695 5.021 1.00 0.90 H new ATOM 1361 N HIS A 94 21.238 -20.035 4.555 1.00 0.89 N ATOM 1362 CA HIS A 94 21.791 -21.331 4.173 1.00 0.98 C ATOM 1363 C HIS A 94 23.227 -21.448 4.657 1.00 1.00 C ATOM 1364 O HIS A 94 23.599 -22.422 5.308 1.00 1.12 O ATOM 1365 CB HIS A 94 21.747 -21.517 2.660 1.00 1.00 C ATOM 1366 CG HIS A 94 21.271 -22.878 2.257 1.00 1.35 C ATOM 1367 ND1 HIS A 94 22.038 -24.017 2.353 1.00 2.17 N ATOM 1368 CD2 HIS A 94 20.064 -23.277 1.781 1.00 1.73 C ATOM 1369 CE1 HIS A 94 21.290 -25.051 1.943 1.00 2.46 C ATOM 1370 NE2 HIS A 94 20.084 -24.655 1.585 1.00 2.14 N ATOM 0 H HIS A 94 20.919 -19.460 3.775 1.00 0.89 H new ATOM 0 HA HIS A 94 21.185 -22.108 4.638 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.090 -20.764 2.225 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.742 -21.348 2.249 1.00 1.00 H new ATOM 0 HD2 HIS A 94 19.223 -22.629 1.586 1.00 1.73 H new ATOM 0 HE1 HIS A 94 21.631 -26.075 1.910 1.00 2.46 H new ATOM 0 HE2 HIS A 94 19.323 -25.238 1.236 1.00 2.14 H new ATOM 1378 N TRP A 95 24.026 -20.435 4.341 1.00 0.93 N ATOM 1379 CA TRP A 95 25.422 -20.407 4.746 1.00 1.00 C ATOM 1380 C TRP A 95 25.536 -20.630 6.249 1.00 1.06 C ATOM 1381 O TRP A 95 26.367 -21.409 6.712 1.00 1.16 O ATOM 1382 CB TRP A 95 26.045 -19.065 4.359 1.00 0.97 C ATOM 1383 CG TRP A 95 27.483 -18.925 4.755 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.055 -17.859 5.387 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.533 -19.877 4.542 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.397 -18.087 5.573 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.713 -19.320 5.066 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.590 -21.145 3.959 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.931 -19.989 5.022 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.800 -21.806 3.919 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.957 -21.227 4.449 1.00 2.05 C ATOM 0 H TRP A 95 23.727 -19.621 3.804 1.00 0.93 H new ATOM 0 HA TRP A 95 25.959 -21.206 4.235 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.961 -18.935 3.280 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.471 -18.262 4.822 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.530 -16.967 5.696 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.052 -17.443 6.017 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.702 -21.600 3.547 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.827 -19.543 5.428 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.855 -22.787 3.471 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.889 -21.770 4.404 1.00 2.05 H new ATOM 1402 N LYS A 96 24.671 -19.958 6.997 1.00 1.03 N ATOM 1403 CA LYS A 96 24.644 -20.096 8.447 1.00 1.12 C ATOM 1404 C LYS A 96 24.436 -21.556 8.816 1.00 1.21 C ATOM 1405 O LYS A 96 25.251 -22.152 9.518 1.00 1.32 O ATOM 1406 CB LYS A 96 23.529 -19.232 9.048 1.00 1.12 C ATOM 1407 CG LYS A 96 23.936 -18.500 10.318 1.00 1.49 C ATOM 1408 CD LYS A 96 24.965 -17.410 10.039 1.00 1.83 C ATOM 1409 CE LYS A 96 26.355 -17.807 10.519 1.00 2.36 C ATOM 1410 NZ LYS A 96 27.418 -17.361 9.576 1.00 2.86 N ATOM 0 H LYS A 96 23.977 -19.311 6.623 1.00 1.03 H new ATOM 0 HA LYS A 96 25.596 -19.756 8.853 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.208 -18.501 8.306 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.668 -19.865 9.265 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.054 -18.057 10.781 1.00 1.49 H new ATOM 0 HG3 LYS A 96 24.347 -19.213 11.033 1.00 1.49 H new ATOM 0 HD2 LYS A 96 24.995 -17.204 8.969 1.00 1.83 H new ATOM 0 HD3 LYS A 96 24.660 -16.487 10.533 1.00 1.83 H new ATOM 0 HE2 LYS A 96 26.537 -17.373 11.502 1.00 2.36 H new ATOM 0 HE3 LYS A 96 26.403 -18.890 10.634 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 28.348 -17.651 9.939 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 27.260 -17.795 8.644 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 27.389 -16.325 9.485 1.00 2.86 H new ATOM 1424 N GLU A 97 23.348 -22.132 8.314 1.00 1.20 N ATOM 1425 CA GLU A 97 23.037 -23.533 8.568 1.00 1.32 C ATOM 1426 C GLU A 97 24.270 -24.396 8.322 1.00 1.36 C ATOM 1427 O GLU A 97 24.618 -25.248 9.136 1.00 1.47 O ATOM 1428 CB GLU A 97 21.880 -23.985 7.669 1.00 1.36 C ATOM 1429 CG GLU A 97 21.682 -25.494 7.628 1.00 1.86 C ATOM 1430 CD GLU A 97 20.813 -26.001 8.764 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.335 -26.157 9.889 1.00 2.68 O ATOM 1432 OE2 GLU A 97 19.611 -26.240 8.531 1.00 3.03 O ATOM 0 H GLU A 97 22.667 -21.649 7.728 1.00 1.20 H new ATOM 0 HA GLU A 97 22.735 -23.647 9.609 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.959 -23.517 8.017 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.058 -23.624 6.656 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.228 -25.771 6.677 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.654 -25.985 7.672 1.00 1.86 H new ATOM 1439 N LEU A 98 24.933 -24.156 7.193 1.00 1.31 N ATOM 1440 CA LEU A 98 26.137 -24.899 6.834 1.00 1.37 C ATOM 1441 C LEU A 98 27.184 -24.780 7.935 1.00 1.42 C ATOM 1442 O LEU A 98 27.651 -25.783 8.475 1.00 1.54 O ATOM 1443 CB LEU A 98 26.705 -24.380 5.510 1.00 1.31 C ATOM 1444 CG LEU A 98 26.589 -25.350 4.334 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.192 -25.290 3.729 1.00 2.38 C ATOM 1446 CD2 LEU A 98 27.650 -25.046 3.285 1.00 2.07 C ATOM 0 H LEU A 98 24.655 -23.451 6.510 1.00 1.31 H new ATOM 0 HA LEU A 98 25.873 -25.950 6.716 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.192 -23.454 5.250 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.757 -24.132 5.655 1.00 1.31 H new ATOM 0 HG LEU A 98 26.756 -26.363 4.701 1.00 1.61 H new ATOM 0 HD11 LEU A 98 25.127 -25.987 2.893 1.00 2.38 H new ATOM 0 HD12 LEU A 98 24.456 -25.561 4.486 1.00 2.38 H new ATOM 0 HD13 LEU A 98 24.992 -24.279 3.375 1.00 2.38 H new ATOM 0 HD21 LEU A 98 27.552 -25.746 2.455 1.00 2.07 H new ATOM 0 HD22 LEU A 98 27.518 -24.028 2.918 1.00 2.07 H new ATOM 0 HD23 LEU A 98 28.640 -25.146 3.729 1.00 2.07 H new ATOM 1458 N LYS A 99 27.534 -23.545 8.278 1.00 1.38 N ATOM 1459 CA LYS A 99 28.513 -23.295 9.328 1.00 1.47 C ATOM 1460 C LYS A 99 28.122 -24.057 10.593 1.00 1.60 C ATOM 1461 O LYS A 99 28.952 -24.722 11.215 1.00 1.74 O ATOM 1462 CB LYS A 99 28.621 -21.791 9.609 1.00 1.45 C ATOM 1463 CG LYS A 99 30.038 -21.244 9.503 1.00 1.90 C ATOM 1464 CD LYS A 99 31.003 -21.970 10.433 1.00 2.41 C ATOM 1465 CE LYS A 99 30.726 -21.654 11.897 1.00 3.14 C ATOM 1466 NZ LYS A 99 30.259 -22.852 12.649 1.00 4.07 N ATOM 0 H LYS A 99 27.155 -22.703 7.845 1.00 1.38 H new ATOM 0 HA LYS A 99 29.490 -23.648 8.997 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.981 -21.254 8.909 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.238 -21.590 10.610 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.387 -21.338 8.474 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.035 -20.181 9.743 1.00 1.90 H new ATOM 0 HD2 LYS A 99 30.923 -23.045 10.272 1.00 2.41 H new ATOM 0 HD3 LYS A 99 32.026 -21.686 10.188 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.632 -21.265 12.361 1.00 3.14 H new ATOM 0 HE3 LYS A 99 29.973 -20.869 11.962 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 29.334 -22.652 13.081 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 30.169 -23.658 11.998 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 30.947 -23.084 13.394 1.00 4.07 H new ATOM 1480 N GLN A 100 26.840 -23.975 10.948 1.00 1.58 N ATOM 1481 CA GLN A 100 26.317 -24.676 12.117 1.00 1.72 C ATOM 1482 C GLN A 100 26.590 -26.173 11.996 1.00 1.81 C ATOM 1483 O GLN A 100 27.175 -26.785 12.891 1.00 1.95 O ATOM 1484 CB GLN A 100 24.811 -24.423 12.255 1.00 1.71 C ATOM 1485 CG GLN A 100 24.441 -23.504 13.411 1.00 1.93 C ATOM 1486 CD GLN A 100 25.034 -22.113 13.274 1.00 2.66 C ATOM 1487 OE1 GLN A 100 24.970 -21.496 12.211 1.00 3.23 O ATOM 1488 NE2 GLN A 100 25.616 -21.610 14.356 1.00 3.33 N ATOM 0 H GLN A 100 26.144 -23.428 10.440 1.00 1.58 H new ATOM 0 HA GLN A 100 26.819 -24.298 13.008 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.439 -23.990 11.326 1.00 1.71 H new ATOM 0 HB3 GLN A 100 24.303 -25.378 12.387 1.00 1.71 H new ATOM 0 HG2 GLN A 100 23.356 -23.426 13.473 1.00 1.93 H new ATOM 0 HG3 GLN A 100 24.783 -23.949 14.346 1.00 1.93 H new ATOM 0 HE21 GLN A 100 25.648 -22.155 15.218 1.00 3.33 H new ATOM 0 HE22 GLN A 100 26.031 -20.679 14.325 1.00 3.33 H new ATOM 1497 N LEU A 101 26.170 -26.754 10.872 1.00 1.77 N ATOM 1498 CA LEU A 101 26.377 -28.173 10.614 1.00 1.89 C ATOM 1499 C LEU A 101 27.834 -28.545 10.853 1.00 1.96 C ATOM 1500 O LEU A 101 28.130 -29.569 11.463 1.00 2.12 O ATOM 1501 CB LEU A 101 25.976 -28.522 9.177 1.00 1.86 C ATOM 1502 CG LEU A 101 25.630 -29.996 8.932 1.00 2.09 C ATOM 1503 CD1 LEU A 101 24.393 -30.399 9.727 1.00 2.59 C ATOM 1504 CD2 LEU A 101 25.420 -30.255 7.448 1.00 2.56 C ATOM 0 H LEU A 101 25.683 -26.259 10.125 1.00 1.77 H new ATOM 0 HA LEU A 101 25.749 -28.743 11.299 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.116 -27.913 8.899 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.793 -28.242 8.511 1.00 1.86 H new ATOM 0 HG LEU A 101 26.467 -30.605 9.273 1.00 2.09 H new ATOM 0 HD11 LEU A 101 24.165 -31.448 9.539 1.00 2.59 H new ATOM 0 HD12 LEU A 101 24.581 -30.254 10.791 1.00 2.59 H new ATOM 0 HD13 LEU A 101 23.547 -29.783 9.421 1.00 2.59 H new ATOM 0 HD21 LEU A 101 25.175 -31.306 7.293 1.00 2.56 H new ATOM 0 HD22 LEU A 101 24.602 -29.634 7.083 1.00 2.56 H new ATOM 0 HD23 LEU A 101 26.332 -30.011 6.903 1.00 2.56 H new ATOM 1516 N ALA A 102 28.741 -27.700 10.369 1.00 1.86 N ATOM 1517 CA ALA A 102 30.169 -27.932 10.540 1.00 1.95 C ATOM 1518 C ALA A 102 30.505 -28.126 12.016 1.00 2.09 C ATOM 1519 O ALA A 102 31.088 -29.137 12.405 1.00 2.24 O ATOM 1520 CB ALA A 102 30.967 -26.774 9.960 1.00 1.85 C ATOM 0 H ALA A 102 28.510 -26.849 9.856 1.00 1.86 H new ATOM 0 HA ALA A 102 30.439 -28.841 10.003 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.032 -26.962 10.095 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.748 -26.678 8.897 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.694 -25.851 10.472 1.00 1.85 H new ATOM 1526 N ALA A 103 30.119 -27.153 12.837 1.00 2.07 N ATOM 1527 CA ALA A 103 30.370 -27.223 14.271 1.00 2.24 C ATOM 1528 C ALA A 103 29.905 -28.563 14.835 1.00 2.38 C ATOM 1529 O ALA A 103 30.648 -29.240 15.547 1.00 2.56 O ATOM 1530 CB ALA A 103 29.671 -26.074 14.986 1.00 2.21 C ATOM 0 H ALA A 103 29.633 -26.309 12.534 1.00 2.07 H new ATOM 0 HA ALA A 103 31.444 -27.136 14.437 1.00 2.24 H new ATOM 0 HB1 ALA A 103 29.867 -26.139 16.056 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.048 -25.125 14.605 1.00 2.21 H new ATOM 0 HB3 ALA A 103 28.597 -26.135 14.809 1.00 2.21 H new ATOM 1536 N ALA A 104 28.673 -28.937 14.504 1.00 2.34 N ATOM 1537 CA ALA A 104 28.103 -30.198 14.968 1.00 2.50 C ATOM 1538 C ALA A 104 28.933 -31.383 14.482 1.00 2.58 C ATOM 1539 O ALA A 104 29.199 -32.321 15.236 1.00 2.74 O ATOM 1540 CB ALA A 104 26.661 -30.328 14.498 1.00 2.48 C ATOM 0 H ALA A 104 28.049 -28.384 13.916 1.00 2.34 H new ATOM 0 HA ALA A 104 28.118 -30.200 16.058 1.00 2.50 H new ATOM 0 HB1 ALA A 104 26.247 -31.273 14.851 1.00 2.48 H new ATOM 0 HB2 ALA A 104 26.072 -29.502 14.898 1.00 2.48 H new ATOM 0 HB3 ALA A 104 26.630 -30.302 13.409 1.00 2.48 H new ATOM 1546 N ARG A 105 29.345 -31.330 13.218 1.00 2.50 N ATOM 1547 CA ARG A 105 30.148 -32.392 12.626 1.00 2.60 C ATOM 1548 C ARG A 105 31.435 -32.587 13.420 1.00 2.72 C ATOM 1549 O ARG A 105 31.901 -33.710 13.594 1.00 2.88 O ATOM 1550 CB ARG A 105 30.461 -32.073 11.156 1.00 2.49 C ATOM 1551 CG ARG A 105 31.651 -32.844 10.591 1.00 2.62 C ATOM 1552 CD ARG A 105 32.906 -31.982 10.490 1.00 2.76 C ATOM 1553 NE ARG A 105 32.938 -30.918 11.491 1.00 3.19 N ATOM 1554 CZ ARG A 105 34.046 -30.287 11.874 1.00 3.86 C ATOM 1555 NH1 ARG A 105 35.216 -30.592 11.332 1.00 4.39 N ATOM 1556 NH2 ARG A 105 33.976 -29.339 12.801 1.00 4.42 N ATOM 0 H ARG A 105 29.134 -30.560 12.584 1.00 2.50 H new ATOM 0 HA ARG A 105 29.578 -33.320 12.660 1.00 2.60 H new ATOM 0 HB2 ARG A 105 29.580 -32.292 10.552 1.00 2.49 H new ATOM 0 HB3 ARG A 105 30.655 -31.005 11.061 1.00 2.49 H new ATOM 0 HG2 ARG A 105 31.856 -33.707 11.225 1.00 2.62 H new ATOM 0 HG3 ARG A 105 31.396 -33.228 9.603 1.00 2.62 H new ATOM 0 HD2 ARG A 105 33.787 -32.613 10.608 1.00 2.76 H new ATOM 0 HD3 ARG A 105 32.961 -31.541 9.495 1.00 2.76 H new ATOM 0 HE ARG A 105 32.056 -30.641 11.923 1.00 3.19 H new ATOM 0 HH11 ARG A 105 35.273 -31.315 10.615 1.00 4.39 H new ATOM 0 HH12 ARG A 105 36.060 -30.103 11.632 1.00 4.39 H new ATOM 0 HH21 ARG A 105 33.076 -29.097 13.216 1.00 4.42 H new ATOM 0 HH22 ARG A 105 34.822 -28.853 13.098 1.00 4.42 H new ATOM 1570 N GLY A 106 31.997 -31.481 13.905 1.00 2.67 N ATOM 1571 CA GLY A 106 33.222 -31.546 14.681 1.00 2.83 C ATOM 1572 C GLY A 106 33.101 -32.483 15.864 1.00 3.06 C ATOM 1573 O GLY A 106 33.987 -33.304 16.107 1.00 3.27 O ATOM 0 H GLY A 106 31.624 -30.541 13.773 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.039 -31.877 14.040 1.00 2.83 H new ATOM 0 HA3 GLY A 106 33.479 -30.548 15.035 1.00 2.83 H new ATOM 1577 N GLN A 107 31.999 -32.362 16.601 1.00 3.06 N ATOM 1578 CA GLN A 107 31.758 -33.208 17.767 1.00 3.32 C ATOM 1579 C GLN A 107 31.376 -34.621 17.338 1.00 3.48 C ATOM 1580 O GLN A 107 31.709 -35.598 18.013 1.00 3.75 O ATOM 1581 CB GLN A 107 30.653 -32.609 18.642 1.00 3.32 C ATOM 1582 CG GLN A 107 31.061 -31.326 19.350 1.00 3.59 C ATOM 1583 CD GLN A 107 30.940 -30.104 18.460 1.00 3.56 C ATOM 1584 OE1 GLN A 107 29.838 -29.681 18.113 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.078 -29.533 18.080 1.00 4.07 N ATOM 0 H GLN A 107 31.259 -31.686 16.411 1.00 3.06 H new ATOM 0 HA GLN A 107 32.679 -33.258 18.347 1.00 3.32 H new ATOM 0 HB2 GLN A 107 29.779 -32.409 18.022 1.00 3.32 H new ATOM 0 HB3 GLN A 107 30.353 -33.345 19.388 1.00 3.32 H new ATOM 0 HG2 GLN A 107 30.438 -31.190 20.234 1.00 3.59 H new ATOM 0 HG3 GLN A 107 32.090 -31.418 19.696 1.00 3.59 H new ATOM 0 HE21 GLN A 107 32.970 -29.917 18.391 1.00 4.07 H new ATOM 0 HE22 GLN A 107 32.059 -28.711 17.477 1.00 4.07 H new