USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 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 74 SER OG : rot 160:sc= -1.31 USER MOD Set 1.2: A 88 GLN : amide:sc= -3.07! K(o=-4.4!,f=0.37) USER MOD Set 2.1: A 71 MET CE :methyl -163:sc= -0.762 (180deg=-1.28!) USER MOD Set 2.2: A 87 CYS SG : rot 180:sc= -0.589 USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -1.37! K(o=-1.4!,f=-0.62) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.438! (180deg=0.377!) USER MOD Single : A 2 SER OG : rot -48:sc= -0.123! USER MOD Single : A 4 GLN : amide:sc= -7.63! C(o=-7.6!,f=-13!) USER MOD Single : A 5 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-7.7!) USER MOD Single : A 12 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-0.95) USER MOD Single : A 20 SER OG : rot 18:sc= 0.134 USER MOD Single : A 24 GLN : amide:sc= -13.1! C(o=-13!,f=-13!) USER MOD Single : A 34 HIS : no HE2:sc= -2.45! C(o=-2.4!,f=-5.5!) USER MOD Single : A 45 GLN : amide:sc= -4.93! C(o=-4.9!,f=-5.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.49) USER MOD Single : A 54 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.0068) USER MOD Single : A 62 TYR OH : rot 130:sc= -0.423 USER MOD Single : A 89 HIS : no HD1:sc= -5.02! C(o=-5!,f=-6.6!) USER MOD Single : A 94 SER OG : rot 43:sc= -6.77! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.17) USER MOD Single : A 105 ASN : amide:sc= -5.81! C(o=-5.8!,f=-3.7!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-3.2!) USER MOD Single : A 501 C2E O2' : rot -16:sc= 0.192 USER MOD Single : A 501 C2E O2A : rot -15:sc= 0.22 USER MOD Single : A 502 C2E O2' : rot -19:sc= 0.102 USER MOD Single : A 502 C2E O2A : rot -16:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 105.567 22.334 18.473 1.00 0.00 N ATOM 2 CA MET A 1 105.353 23.229 17.301 1.00 0.00 C ATOM 3 C MET A 1 106.576 23.170 16.390 1.00 0.00 C ATOM 4 O MET A 1 107.501 23.969 16.525 1.00 0.00 O ATOM 5 CB MET A 1 105.135 24.665 17.796 1.00 0.00 C ATOM 6 CG MET A 1 103.670 24.851 18.201 1.00 0.00 C ATOM 7 SD MET A 1 103.194 23.548 19.366 1.00 0.00 S ATOM 8 CE MET A 1 101.605 23.125 18.609 1.00 0.00 C ATOM 0 H1 MET A 1 104.859 22.545 19.205 1.00 0.00 H new ATOM 0 H2 MET A 1 105.472 21.342 18.175 1.00 0.00 H new ATOM 0 H3 MET A 1 106.520 22.489 18.859 1.00 0.00 H new ATOM 0 HA MET A 1 104.476 22.905 16.741 1.00 0.00 H new ATOM 0 HB2 MET A 1 105.787 24.871 18.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 105.399 25.375 17.012 1.00 0.00 H new ATOM 0 HG2 MET A 1 103.530 25.831 18.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 103.031 24.816 17.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.131 22.326 19.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 100.958 24.002 18.607 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.768 22.792 17.584 1.00 0.00 H new ATOM 18 N SER A 2 106.572 22.217 15.463 1.00 0.00 N ATOM 19 CA SER A 2 107.689 22.064 14.538 1.00 0.00 C ATOM 20 C SER A 2 107.314 21.141 13.390 1.00 0.00 C ATOM 21 O SER A 2 108.108 20.296 12.976 1.00 0.00 O ATOM 22 CB SER A 2 108.903 21.497 15.274 1.00 0.00 C ATOM 23 OG SER A 2 109.035 22.148 16.531 1.00 0.00 O ATOM 0 H SER A 2 105.816 21.545 15.333 1.00 0.00 H new ATOM 0 HA SER A 2 107.935 23.046 14.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 108.787 20.423 15.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 109.805 21.643 14.679 1.00 0.00 H new ATOM 0 HG SER A 2 108.959 23.117 16.407 1.00 0.00 H new ATOM 29 N ASP A 3 106.111 21.331 12.855 1.00 0.00 N ATOM 30 CA ASP A 3 105.669 20.522 11.725 1.00 0.00 C ATOM 31 C ASP A 3 105.858 21.307 10.434 1.00 0.00 C ATOM 32 O ASP A 3 105.110 22.238 10.137 1.00 0.00 O ATOM 33 CB ASP A 3 104.215 20.075 11.885 1.00 0.00 C ATOM 34 CG ASP A 3 103.771 19.294 10.653 1.00 0.00 C ATOM 35 OD1 ASP A 3 103.429 19.924 9.667 1.00 0.00 O ATOM 36 OD2 ASP A 3 103.780 18.075 10.714 1.00 0.00 O ATOM 0 H ASP A 3 105.437 22.024 13.178 1.00 0.00 H new ATOM 0 HA ASP A 3 106.277 19.618 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 3 104.112 19.455 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 3 103.572 20.944 12.026 1.00 0.00 H new ATOM 41 N GLN A 4 106.852 20.888 9.659 1.00 0.00 N ATOM 42 CA GLN A 4 107.131 21.519 8.373 1.00 0.00 C ATOM 43 C GLN A 4 106.857 20.532 7.246 1.00 0.00 C ATOM 44 O GLN A 4 106.666 20.934 6.103 1.00 0.00 O ATOM 45 CB GLN A 4 108.577 22.013 8.308 1.00 0.00 C ATOM 46 CG GLN A 4 108.829 23.014 9.437 1.00 0.00 C ATOM 47 CD GLN A 4 108.827 22.296 10.784 1.00 0.00 C ATOM 48 OE1 GLN A 4 108.519 22.900 11.811 1.00 0.00 O ATOM 49 NE2 GLN A 4 109.159 21.034 10.843 1.00 0.00 N ATOM 0 H GLN A 4 107.476 20.117 9.897 1.00 0.00 H new ATOM 0 HA GLN A 4 106.476 22.383 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 4 109.264 21.171 8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 4 108.769 22.482 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 4 109.786 23.514 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 4 108.060 23.787 9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 4 109.414 20.533 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 4 109.163 20.549 11.740 1.00 0.00 H new ATOM 58 N HIS A 5 106.849 19.245 7.605 1.00 0.00 N ATOM 59 CA HIS A 5 106.612 18.140 6.666 1.00 0.00 C ATOM 60 C HIS A 5 107.847 17.256 6.603 1.00 0.00 C ATOM 61 O HIS A 5 107.933 16.347 5.777 1.00 0.00 O ATOM 62 CB HIS A 5 106.253 18.632 5.252 1.00 0.00 C ATOM 63 CG HIS A 5 107.439 19.293 4.589 1.00 0.00 C ATOM 64 ND1 HIS A 5 107.319 20.498 3.913 1.00 0.00 N ATOM 65 CD2 HIS A 5 108.762 18.933 4.473 1.00 0.00 C ATOM 66 CE1 HIS A 5 108.531 20.816 3.427 1.00 0.00 C ATOM 67 NE2 HIS A 5 109.446 19.897 3.739 1.00 0.00 N ATOM 0 H HIS A 5 107.008 18.936 8.564 1.00 0.00 H new ATOM 0 HA HIS A 5 105.757 17.574 7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 5 105.915 17.791 4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 5 105.424 19.338 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 5 109.202 18.039 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 5 108.739 21.707 2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 5 110.436 19.900 3.492 1.00 0.00 H new ATOM 75 N ASP A 6 108.809 17.538 7.483 1.00 0.00 N ATOM 76 CA ASP A 6 110.050 16.774 7.525 1.00 0.00 C ATOM 77 C ASP A 6 109.775 15.299 7.264 1.00 0.00 C ATOM 78 O ASP A 6 108.649 14.831 7.433 1.00 0.00 O ATOM 79 CB ASP A 6 110.729 16.946 8.884 1.00 0.00 C ATOM 80 CG ASP A 6 111.163 18.397 9.064 1.00 0.00 C ATOM 81 OD1 ASP A 6 111.540 19.007 8.077 1.00 0.00 O ATOM 82 OD2 ASP A 6 111.110 18.877 10.184 1.00 0.00 O ATOM 0 H ASP A 6 108.750 18.287 8.172 1.00 0.00 H new ATOM 0 HA ASP A 6 110.714 17.149 6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 6 110.044 16.660 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 6 111.594 16.287 8.955 1.00 0.00 H new ATOM 87 N GLU A 7 110.802 14.575 6.836 1.00 0.00 N ATOM 88 CA GLU A 7 110.644 13.160 6.534 1.00 0.00 C ATOM 89 C GLU A 7 111.033 12.282 7.722 1.00 0.00 C ATOM 90 O GLU A 7 112.062 12.496 8.362 1.00 0.00 O ATOM 91 CB GLU A 7 111.457 12.784 5.292 1.00 0.00 C ATOM 92 CG GLU A 7 112.934 13.121 5.505 1.00 0.00 C ATOM 93 CD GLU A 7 113.154 14.624 5.372 1.00 0.00 C ATOM 94 OE1 GLU A 7 113.226 15.096 4.250 1.00 0.00 O ATOM 95 OE2 GLU A 7 113.248 15.281 6.397 1.00 0.00 O ATOM 0 H GLU A 7 111.743 14.940 6.692 1.00 0.00 H new ATOM 0 HA GLU A 7 109.589 12.981 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.346 11.720 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 7 111.076 13.320 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 7 113.253 12.785 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 7 113.545 12.590 4.775 1.00 0.00 H new ATOM 102 N ARG A 8 110.190 11.289 8.004 1.00 0.00 N ATOM 103 CA ARG A 8 110.434 10.364 9.110 1.00 0.00 C ATOM 104 C ARG A 8 110.527 8.926 8.597 1.00 0.00 C ATOM 105 O ARG A 8 110.875 8.014 9.349 1.00 0.00 O ATOM 106 CB ARG A 8 109.302 10.444 10.138 1.00 0.00 C ATOM 107 CG ARG A 8 109.461 11.686 11.029 1.00 0.00 C ATOM 108 CD ARG A 8 109.005 12.948 10.289 1.00 0.00 C ATOM 109 NE ARG A 8 107.796 12.698 9.506 1.00 0.00 N ATOM 110 CZ ARG A 8 106.918 13.667 9.271 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.107 14.858 9.772 1.00 0.00 N ATOM 112 NH2 ARG A 8 105.864 13.430 8.540 1.00 0.00 N ATOM 0 H ARG A 8 109.333 11.105 7.482 1.00 0.00 H new ATOM 0 HA ARG A 8 111.376 10.649 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 8 108.341 10.479 9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.301 9.546 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 108.877 11.562 11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 8 110.503 11.792 11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 8 108.817 13.745 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 8 109.802 13.294 9.631 1.00 0.00 H new ATOM 0 HE ARG A 8 107.624 11.764 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 8 107.930 15.046 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 8 106.432 15.601 9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 8 105.713 12.500 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.190 14.174 8.360 1.00 0.00 H new ATOM 126 N ARG A 9 110.222 8.729 7.313 1.00 0.00 N ATOM 127 CA ARG A 9 110.286 7.393 6.717 1.00 0.00 C ATOM 128 C ARG A 9 111.470 7.313 5.766 1.00 0.00 C ATOM 129 O ARG A 9 111.364 7.680 4.598 1.00 0.00 O ATOM 130 CB ARG A 9 108.984 7.051 5.968 1.00 0.00 C ATOM 131 CG ARG A 9 108.323 8.326 5.445 1.00 0.00 C ATOM 132 CD ARG A 9 106.936 8.008 4.874 1.00 0.00 C ATOM 133 NE ARG A 9 106.089 9.202 4.920 1.00 0.00 N ATOM 134 CZ ARG A 9 105.265 9.514 3.918 1.00 0.00 C ATOM 135 NH1 ARG A 9 105.183 8.739 2.870 1.00 0.00 N ATOM 136 NH2 ARG A 9 104.534 10.593 3.986 1.00 0.00 N ATOM 0 H ARG A 9 109.932 9.468 6.672 1.00 0.00 H new ATOM 0 HA ARG A 9 110.412 6.666 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.200 6.378 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.300 6.526 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.234 9.055 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 9 108.947 8.778 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.029 7.657 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 9 106.474 7.203 5.445 1.00 0.00 H new ATOM 0 HE ARG A 9 106.130 9.810 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 9 105.750 7.893 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 9 104.552 8.980 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 9 104.593 11.198 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 9 103.904 10.831 3.220 1.00 0.00 H new ATOM 150 N ARG A 10 112.596 6.841 6.300 1.00 0.00 N ATOM 151 CA ARG A 10 113.841 6.709 5.535 1.00 0.00 C ATOM 152 C ARG A 10 113.814 7.552 4.257 1.00 0.00 C ATOM 153 O ARG A 10 114.470 8.591 4.181 1.00 0.00 O ATOM 154 CB ARG A 10 114.118 5.233 5.191 1.00 0.00 C ATOM 155 CG ARG A 10 113.488 4.310 6.245 1.00 0.00 C ATOM 156 CD ARG A 10 112.079 3.901 5.801 1.00 0.00 C ATOM 157 NE ARG A 10 111.464 3.032 6.798 1.00 0.00 N ATOM 158 CZ ARG A 10 111.869 1.775 6.958 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.848 1.306 6.232 1.00 0.00 N ATOM 160 NH2 ARG A 10 111.289 1.010 7.842 1.00 0.00 N ATOM 0 H ARG A 10 112.674 6.540 7.271 1.00 0.00 H new ATOM 0 HA ARG A 10 114.648 7.082 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 10 113.713 5.000 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.193 5.060 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.107 3.424 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.442 4.820 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.465 4.789 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.128 3.386 4.841 1.00 0.00 H new ATOM 0 HE ARG A 10 110.711 3.394 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.303 1.904 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.158 0.342 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.525 1.376 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 10 111.600 0.046 7.965 1.00 0.00 H new ATOM 174 N PHE A 11 113.053 7.110 3.256 1.00 0.00 N ATOM 175 CA PHE A 11 112.956 7.849 2.003 1.00 0.00 C ATOM 176 C PHE A 11 111.594 7.620 1.348 1.00 0.00 C ATOM 177 O PHE A 11 110.834 6.743 1.762 1.00 0.00 O ATOM 178 CB PHE A 11 114.080 7.418 1.051 1.00 0.00 C ATOM 179 CG PHE A 11 115.290 8.300 1.266 1.00 0.00 C ATOM 180 CD1 PHE A 11 115.304 9.601 0.749 1.00 0.00 C ATOM 181 CD2 PHE A 11 116.394 7.821 1.982 1.00 0.00 C ATOM 182 CE1 PHE A 11 116.419 10.423 0.947 1.00 0.00 C ATOM 183 CE2 PHE A 11 117.510 8.643 2.181 1.00 0.00 C ATOM 184 CZ PHE A 11 117.522 9.944 1.663 1.00 0.00 C ATOM 0 H PHE A 11 112.501 6.253 3.289 1.00 0.00 H new ATOM 0 HA PHE A 11 113.061 8.913 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.341 6.375 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 11 113.743 7.491 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 11 114.453 9.971 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 11 116.385 6.817 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 11 116.428 11.426 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 11 118.361 8.274 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 11 118.383 10.578 1.816 1.00 0.00 H new ATOM 194 N HIS A 12 111.296 8.417 0.328 1.00 0.00 N ATOM 195 CA HIS A 12 110.025 8.304 -0.382 1.00 0.00 C ATOM 196 C HIS A 12 109.685 6.844 -0.668 1.00 0.00 C ATOM 197 O HIS A 12 110.514 6.090 -1.181 1.00 0.00 O ATOM 198 CB HIS A 12 110.103 9.080 -1.699 1.00 0.00 C ATOM 199 CG HIS A 12 111.465 8.890 -2.309 1.00 0.00 C ATOM 200 ND1 HIS A 12 111.710 7.940 -3.288 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.666 9.518 -2.087 1.00 0.00 C ATOM 202 CE1 HIS A 12 113.013 8.022 -3.614 1.00 0.00 C ATOM 203 NE2 HIS A 12 113.641 8.967 -2.912 1.00 0.00 N ATOM 0 H HIS A 12 111.915 9.147 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 12 109.240 8.722 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.332 8.731 -2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 12 109.916 10.139 -1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 12 112.829 10.318 -1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 12 113.492 7.398 -4.354 1.00 0.00 H new ATOM 0 HE2 HIS A 12 114.625 9.229 -2.968 1.00 0.00 H new ATOM 211 N ARG A 13 108.456 6.453 -0.339 1.00 0.00 N ATOM 212 CA ARG A 13 108.007 5.083 -0.571 1.00 0.00 C ATOM 213 C ARG A 13 107.399 4.956 -1.967 1.00 0.00 C ATOM 214 O ARG A 13 106.820 5.908 -2.488 1.00 0.00 O ATOM 215 CB ARG A 13 106.959 4.676 0.483 1.00 0.00 C ATOM 216 CG ARG A 13 106.864 5.757 1.565 1.00 0.00 C ATOM 217 CD ARG A 13 105.870 5.325 2.648 1.00 0.00 C ATOM 218 NE ARG A 13 106.564 4.600 3.708 1.00 0.00 N ATOM 219 CZ ARG A 13 106.150 4.647 4.974 1.00 0.00 C ATOM 220 NH1 ARG A 13 105.093 5.344 5.299 1.00 0.00 N ATOM 221 NH2 ARG A 13 106.800 3.987 5.892 1.00 0.00 N ATOM 0 H ARG A 13 107.757 7.062 0.087 1.00 0.00 H new ATOM 0 HA ARG A 13 108.870 4.421 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 13 105.988 4.537 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.234 3.722 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 13 107.845 5.928 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 13 106.545 6.700 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.370 6.200 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 13 105.097 4.693 2.211 1.00 0.00 H new ATOM 0 HE ARG A 13 107.386 4.044 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.580 5.856 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 13 104.782 5.376 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 13 107.622 3.438 5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 13 106.487 4.020 6.862 1.00 0.00 H new ATOM 235 N ILE A 14 107.528 3.774 -2.559 1.00 0.00 N ATOM 236 CA ILE A 14 106.979 3.530 -3.888 1.00 0.00 C ATOM 237 C ILE A 14 105.533 4.005 -3.952 1.00 0.00 C ATOM 238 O ILE A 14 104.609 3.222 -3.724 1.00 0.00 O ATOM 239 CB ILE A 14 107.030 2.033 -4.197 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.410 1.475 -3.829 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.762 1.799 -5.684 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.506 2.378 -4.400 1.00 0.00 C ATOM 0 H ILE A 14 108.005 2.974 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 14 107.571 4.079 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 14 106.266 1.523 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.508 1.410 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.519 0.464 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.800 0.731 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.776 2.185 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.519 2.314 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.484 1.976 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.413 2.421 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.402 3.381 -3.987 1.00 0.00 H new ATOM 254 N ALA A 15 105.331 5.287 -4.247 1.00 0.00 N ATOM 255 CA ALA A 15 103.976 5.824 -4.311 1.00 0.00 C ATOM 256 C ALA A 15 103.422 5.787 -5.728 1.00 0.00 C ATOM 257 O ALA A 15 103.960 6.406 -6.645 1.00 0.00 O ATOM 258 CB ALA A 15 103.954 7.266 -3.805 1.00 0.00 C ATOM 0 H ALA A 15 106.072 5.961 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 15 103.349 5.196 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.937 7.655 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.300 7.294 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.609 7.879 -4.424 1.00 0.00 H new ATOM 264 N PHE A 16 102.315 5.076 -5.873 1.00 0.00 N ATOM 265 CA PHE A 16 101.625 4.958 -7.146 1.00 0.00 C ATOM 266 C PHE A 16 100.139 4.786 -6.867 1.00 0.00 C ATOM 267 O PHE A 16 99.764 4.363 -5.774 1.00 0.00 O ATOM 268 CB PHE A 16 102.169 3.772 -7.950 1.00 0.00 C ATOM 269 CG PHE A 16 101.812 2.471 -7.272 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.304 2.188 -5.992 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.998 1.540 -7.929 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.980 0.979 -5.371 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.677 0.328 -7.307 1.00 0.00 C ATOM 274 CZ PHE A 16 101.168 0.049 -6.027 1.00 0.00 C ATOM 0 H PHE A 16 101.870 4.565 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 16 101.788 5.856 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.758 3.789 -8.959 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.252 3.855 -8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.934 2.904 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.618 1.757 -8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.357 0.763 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.051 -0.391 -7.815 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.920 -0.885 -5.545 1.00 0.00 H new ATOM 284 N ASP A 17 99.286 5.121 -7.827 1.00 0.00 N ATOM 285 CA ASP A 17 97.850 4.994 -7.604 1.00 0.00 C ATOM 286 C ASP A 17 97.333 3.667 -8.146 1.00 0.00 C ATOM 287 O ASP A 17 97.827 3.162 -9.155 1.00 0.00 O ATOM 288 CB ASP A 17 97.112 6.147 -8.286 1.00 0.00 C ATOM 289 CG ASP A 17 97.549 7.478 -7.682 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.513 8.041 -8.172 1.00 0.00 O ATOM 291 OD2 ASP A 17 96.912 7.914 -6.737 1.00 0.00 O ATOM 0 H ASP A 17 99.553 5.474 -8.746 1.00 0.00 H new ATOM 0 HA ASP A 17 97.667 5.028 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.318 6.139 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.036 6.021 -8.168 1.00 0.00 H new ATOM 296 N ALA A 18 96.336 3.109 -7.470 1.00 0.00 N ATOM 297 CA ALA A 18 95.753 1.842 -7.889 1.00 0.00 C ATOM 298 C ALA A 18 94.643 1.436 -6.931 1.00 0.00 C ATOM 299 O ALA A 18 94.387 2.116 -5.936 1.00 0.00 O ATOM 300 CB ALA A 18 96.825 0.749 -7.939 1.00 0.00 C ATOM 0 H ALA A 18 95.916 3.513 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 18 95.335 1.967 -8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.372 -0.191 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.602 1.033 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.265 0.626 -6.950 1.00 0.00 H new ATOM 306 N ASP A 19 93.983 0.329 -7.239 1.00 0.00 N ATOM 307 CA ASP A 19 92.894 -0.155 -6.400 1.00 0.00 C ATOM 308 C ASP A 19 93.392 -1.219 -5.431 1.00 0.00 C ATOM 309 O ASP A 19 94.109 -2.138 -5.825 1.00 0.00 O ATOM 310 CB ASP A 19 91.780 -0.736 -7.280 1.00 0.00 C ATOM 311 CG ASP A 19 91.783 -0.053 -8.645 1.00 0.00 C ATOM 312 OD1 ASP A 19 91.965 1.152 -8.684 1.00 0.00 O ATOM 313 OD2 ASP A 19 91.603 -0.748 -9.632 1.00 0.00 O ATOM 0 H ASP A 19 94.180 -0.248 -8.057 1.00 0.00 H new ATOM 0 HA ASP A 19 92.503 0.683 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.924 -1.810 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 19 90.813 -0.596 -6.796 1.00 0.00 H new ATOM 318 N SER A 20 92.995 -1.105 -4.167 1.00 0.00 N ATOM 319 CA SER A 20 93.396 -2.084 -3.165 1.00 0.00 C ATOM 320 C SER A 20 92.197 -2.502 -2.318 1.00 0.00 C ATOM 321 O SER A 20 91.251 -1.737 -2.132 1.00 0.00 O ATOM 322 CB SER A 20 94.491 -1.509 -2.269 1.00 0.00 C ATOM 323 OG SER A 20 94.147 -0.181 -1.899 1.00 0.00 O ATOM 0 H SER A 20 92.402 -0.353 -3.816 1.00 0.00 H new ATOM 0 HA SER A 20 93.786 -2.962 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.610 -2.127 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.447 -1.517 -2.793 1.00 0.00 H new ATOM 0 HG SER A 20 93.189 -0.038 -2.046 1.00 0.00 H new ATOM 329 N GLU A 21 92.253 -3.722 -1.807 1.00 0.00 N ATOM 330 CA GLU A 21 91.182 -4.258 -0.969 1.00 0.00 C ATOM 331 C GLU A 21 91.781 -4.817 0.308 1.00 0.00 C ATOM 332 O GLU A 21 92.881 -5.369 0.292 1.00 0.00 O ATOM 333 CB GLU A 21 90.436 -5.375 -1.709 1.00 0.00 C ATOM 334 CG GLU A 21 89.989 -4.890 -3.093 1.00 0.00 C ATOM 335 CD GLU A 21 88.699 -4.088 -2.979 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.795 -4.552 -2.303 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.632 -3.022 -3.567 1.00 0.00 O ATOM 0 H GLU A 21 93.031 -4.365 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 21 90.480 -3.458 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.082 -6.246 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.569 -5.689 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.770 -4.275 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 21 89.838 -5.743 -3.754 1.00 0.00 H new ATOM 344 N ILE A 22 91.064 -4.672 1.418 1.00 0.00 N ATOM 345 CA ILE A 22 91.567 -5.176 2.692 1.00 0.00 C ATOM 346 C ILE A 22 90.544 -6.081 3.358 1.00 0.00 C ATOM 347 O ILE A 22 89.357 -5.788 3.379 1.00 0.00 O ATOM 348 CB ILE A 22 91.925 -4.010 3.608 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.172 -3.315 3.055 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.207 -4.523 5.022 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.453 -2.051 3.861 1.00 0.00 C ATOM 0 H ILE A 22 90.151 -4.219 1.463 1.00 0.00 H new ATOM 0 HA ILE A 22 92.464 -5.765 2.502 1.00 0.00 H new ATOM 0 HB ILE A 22 91.093 -3.307 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.028 -3.988 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.025 -3.064 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.462 -3.684 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.321 -5.025 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.040 -5.226 4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.341 -1.558 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.600 -1.376 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.619 -2.315 4.905 1.00 0.00 H new ATOM 363 N LEU A 23 91.026 -7.195 3.887 1.00 0.00 N ATOM 364 CA LEU A 23 90.167 -8.171 4.537 1.00 0.00 C ATOM 365 C LEU A 23 90.643 -8.470 5.950 1.00 0.00 C ATOM 366 O LEU A 23 91.778 -8.896 6.162 1.00 0.00 O ATOM 367 CB LEU A 23 90.173 -9.471 3.720 1.00 0.00 C ATOM 368 CG LEU A 23 90.368 -9.142 2.233 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.857 -9.182 1.879 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.618 -10.165 1.375 1.00 0.00 C ATOM 0 H LEU A 23 92.015 -7.446 3.878 1.00 0.00 H new ATOM 0 HA LEU A 23 89.160 -7.758 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.972 -10.126 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.235 -10.008 3.864 1.00 0.00 H new ATOM 0 HG LEU A 23 89.977 -8.143 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 91.986 -8.947 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.394 -8.450 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.252 -10.178 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.759 -9.928 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.005 -11.164 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.555 -10.132 1.616 1.00 0.00 H new ATOM 382 N GLN A 24 89.750 -8.265 6.907 1.00 0.00 N ATOM 383 CA GLN A 24 90.066 -8.539 8.309 1.00 0.00 C ATOM 384 C GLN A 24 88.972 -9.402 8.923 1.00 0.00 C ATOM 385 O GLN A 24 87.890 -8.909 9.243 1.00 0.00 O ATOM 386 CB GLN A 24 90.186 -7.233 9.100 1.00 0.00 C ATOM 387 CG GLN A 24 90.174 -7.545 10.602 1.00 0.00 C ATOM 388 CD GLN A 24 90.753 -6.377 11.392 1.00 0.00 C ATOM 389 OE1 GLN A 24 91.947 -6.091 11.296 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.973 -5.684 12.178 1.00 0.00 N ATOM 0 H GLN A 24 88.807 -7.913 6.745 1.00 0.00 H new ATOM 0 HA GLN A 24 91.019 -9.066 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.107 -6.716 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.361 -6.566 8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.154 -7.744 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.754 -8.447 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.984 -5.923 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 24 90.352 -4.904 12.714 1.00 0.00 H new ATOM 399 N GLY A 25 89.244 -10.695 9.068 1.00 0.00 N ATOM 400 CA GLY A 25 88.255 -11.606 9.624 1.00 0.00 C ATOM 401 C GLY A 25 87.252 -11.998 8.547 1.00 0.00 C ATOM 402 O GLY A 25 87.632 -12.458 7.472 1.00 0.00 O ATOM 0 H GLY A 25 90.130 -11.130 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.747 -12.496 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.739 -11.132 10.459 1.00 0.00 H new ATOM 406 N GLU A 26 85.971 -11.806 8.836 1.00 0.00 N ATOM 407 CA GLU A 26 84.919 -12.135 7.880 1.00 0.00 C ATOM 408 C GLU A 26 84.417 -10.870 7.190 1.00 0.00 C ATOM 409 O GLU A 26 83.375 -10.880 6.536 1.00 0.00 O ATOM 410 CB GLU A 26 83.755 -12.803 8.616 1.00 0.00 C ATOM 411 CG GLU A 26 83.315 -11.915 9.781 1.00 0.00 C ATOM 412 CD GLU A 26 82.104 -12.528 10.477 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.303 -13.351 11.355 1.00 0.00 O ATOM 414 OE2 GLU A 26 80.994 -12.165 10.121 1.00 0.00 O ATOM 0 H GLU A 26 85.635 -11.426 9.721 1.00 0.00 H new ATOM 0 HA GLU A 26 85.324 -12.814 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.922 -12.964 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.058 -13.783 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 26 84.134 -11.801 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 26 83.069 -10.918 9.416 1.00 0.00 H new ATOM 421 N ARG A 27 85.149 -9.773 7.372 1.00 0.00 N ATOM 422 CA ARG A 27 84.755 -8.491 6.798 1.00 0.00 C ATOM 423 C ARG A 27 85.732 -7.997 5.739 1.00 0.00 C ATOM 424 O ARG A 27 86.946 -8.019 5.938 1.00 0.00 O ATOM 425 CB ARG A 27 84.689 -7.459 7.916 1.00 0.00 C ATOM 426 CG ARG A 27 83.385 -7.645 8.702 1.00 0.00 C ATOM 427 CD ARG A 27 83.615 -7.252 10.156 1.00 0.00 C ATOM 428 NE ARG A 27 82.341 -7.055 10.837 1.00 0.00 N ATOM 429 CZ ARG A 27 82.275 -6.986 12.163 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.362 -7.094 12.878 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.123 -6.809 12.752 1.00 0.00 N ATOM 0 H ARG A 27 86.015 -9.747 7.911 1.00 0.00 H new ATOM 0 HA ARG A 27 83.787 -8.628 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.546 -7.570 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.736 -6.452 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.595 -7.033 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.055 -8.682 8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.189 -8.028 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.205 -6.337 10.203 1.00 0.00 H new ATOM 0 HE ARG A 27 81.486 -6.969 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.263 -7.231 12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 27 83.311 -7.041 13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.273 -6.724 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.073 -6.756 13.769 1.00 0.00 H new ATOM 445 N ARG A 28 85.188 -7.538 4.619 1.00 0.00 N ATOM 446 CA ARG A 28 86.008 -7.018 3.524 1.00 0.00 C ATOM 447 C ARG A 28 85.528 -5.637 3.112 1.00 0.00 C ATOM 448 O ARG A 28 84.345 -5.314 3.223 1.00 0.00 O ATOM 449 CB ARG A 28 85.945 -7.960 2.316 1.00 0.00 C ATOM 450 CG ARG A 28 86.848 -7.423 1.197 1.00 0.00 C ATOM 451 CD ARG A 28 86.732 -8.315 -0.040 1.00 0.00 C ATOM 452 NE ARG A 28 87.708 -7.904 -1.048 1.00 0.00 N ATOM 453 CZ ARG A 28 87.472 -8.072 -2.346 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.356 -8.621 -2.742 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.358 -7.687 -3.225 1.00 0.00 N ATOM 0 H ARG A 28 84.184 -7.514 4.442 1.00 0.00 H new ATOM 0 HA ARG A 28 87.038 -6.950 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.264 -8.961 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.918 -8.043 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.563 -6.401 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.883 -7.391 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.899 -9.356 0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.724 -8.251 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 28 88.587 -7.480 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.664 -8.922 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 28 86.176 -8.749 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.230 -7.258 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 28 88.178 -7.815 -4.221 1.00 0.00 H new ATOM 469 N TRP A 29 86.465 -4.829 2.643 1.00 0.00 N ATOM 470 CA TRP A 29 86.164 -3.474 2.217 1.00 0.00 C ATOM 471 C TRP A 29 87.056 -3.072 1.046 1.00 0.00 C ATOM 472 O TRP A 29 88.149 -3.611 0.869 1.00 0.00 O ATOM 473 CB TRP A 29 86.418 -2.511 3.370 1.00 0.00 C ATOM 474 CG TRP A 29 85.612 -2.893 4.565 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.275 -2.750 4.688 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.083 -3.465 5.815 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.894 -3.195 5.943 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.977 -3.646 6.675 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.355 -3.838 6.277 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.129 -4.178 7.956 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.515 -4.377 7.561 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.404 -4.547 8.402 1.00 0.00 C ATOM 0 H TRP A 29 87.446 -5.091 2.548 1.00 0.00 H new ATOM 0 HA TRP A 29 85.119 -3.433 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.478 -2.513 3.625 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.165 -1.496 3.064 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.612 -2.354 3.933 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.933 -3.191 6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.216 -3.709 5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.270 -4.304 8.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.498 -4.663 7.905 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.532 -4.962 9.391 1.00 0.00 H new ATOM 493 N GLU A 30 86.585 -2.109 0.259 1.00 0.00 N ATOM 494 CA GLU A 30 87.346 -1.621 -0.884 1.00 0.00 C ATOM 495 C GLU A 30 88.029 -0.307 -0.520 1.00 0.00 C ATOM 496 O GLU A 30 87.410 0.567 0.088 1.00 0.00 O ATOM 497 CB GLU A 30 86.408 -1.399 -2.076 1.00 0.00 C ATOM 498 CG GLU A 30 85.360 -2.519 -2.124 1.00 0.00 C ATOM 499 CD GLU A 30 84.822 -2.672 -3.543 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.355 -1.686 -4.090 1.00 0.00 O ATOM 501 OE2 GLU A 30 84.886 -3.774 -4.064 1.00 0.00 O ATOM 0 H GLU A 30 85.682 -1.653 0.392 1.00 0.00 H new ATOM 0 HA GLU A 30 88.101 -2.360 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.916 -0.430 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.980 -1.383 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.804 -3.457 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.543 -2.293 -1.439 1.00 0.00 H new ATOM 508 N VAL A 31 89.298 -0.163 -0.879 1.00 0.00 N ATOM 509 CA VAL A 31 90.027 1.062 -0.562 1.00 0.00 C ATOM 510 C VAL A 31 91.023 1.399 -1.662 1.00 0.00 C ATOM 511 O VAL A 31 91.481 0.521 -2.391 1.00 0.00 O ATOM 512 CB VAL A 31 90.780 0.893 0.759 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.782 0.713 1.904 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.684 -0.339 0.675 1.00 0.00 C ATOM 0 H VAL A 31 89.839 -0.866 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 31 89.305 1.874 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 31 91.385 1.780 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.323 0.593 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.138 1.590 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.173 -0.172 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.221 -0.461 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.076 -1.224 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.399 -0.211 -0.137 1.00 0.00 H new ATOM 524 N LEU A 32 91.381 2.675 -1.755 1.00 0.00 N ATOM 525 CA LEU A 32 92.353 3.113 -2.746 1.00 0.00 C ATOM 526 C LEU A 32 93.725 3.150 -2.093 1.00 0.00 C ATOM 527 O LEU A 32 93.888 3.712 -1.008 1.00 0.00 O ATOM 528 CB LEU A 32 91.992 4.501 -3.288 1.00 0.00 C ATOM 529 CG LEU A 32 91.656 5.452 -2.127 1.00 0.00 C ATOM 530 CD1 LEU A 32 92.104 6.874 -2.479 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.144 5.448 -1.876 1.00 0.00 C ATOM 0 H LEU A 32 91.015 3.418 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 32 92.354 2.417 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.824 4.901 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.141 4.425 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 32 92.176 5.116 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.865 7.546 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 32 93.180 6.884 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 91.587 7.206 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 32 89.910 6.123 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.625 5.779 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 32 89.820 4.439 -1.621 1.00 0.00 H new ATOM 543 N LEU A 33 94.710 2.544 -2.739 1.00 0.00 N ATOM 544 CA LEU A 33 96.051 2.524 -2.176 1.00 0.00 C ATOM 545 C LEU A 33 96.838 3.732 -2.654 1.00 0.00 C ATOM 546 O LEU A 33 96.935 4.000 -3.851 1.00 0.00 O ATOM 547 CB LEU A 33 96.771 1.225 -2.561 1.00 0.00 C ATOM 548 CG LEU A 33 98.284 1.340 -2.289 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.793 0.031 -1.684 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.026 1.609 -3.603 1.00 0.00 C ATOM 0 H LEU A 33 94.610 2.068 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 33 95.976 2.567 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.357 0.392 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.601 1.008 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 33 98.463 2.161 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.863 0.111 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.269 -0.165 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.610 -0.787 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.095 1.690 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.845 0.789 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.666 2.540 -4.040 1.00 0.00 H new ATOM 562 N HIS A 34 97.372 4.467 -1.695 1.00 0.00 N ATOM 563 CA HIS A 34 98.133 5.670 -1.987 1.00 0.00 C ATOM 564 C HIS A 34 99.622 5.368 -2.166 1.00 0.00 C ATOM 565 O HIS A 34 100.287 6.037 -2.957 1.00 0.00 O ATOM 566 CB HIS A 34 97.915 6.676 -0.864 1.00 0.00 C ATOM 567 CG HIS A 34 96.526 7.243 -0.956 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.247 8.423 -1.627 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.324 6.803 -0.458 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.925 8.650 -1.514 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.316 7.694 -0.811 1.00 0.00 N ATOM 0 H HIS A 34 97.292 4.251 -0.701 1.00 0.00 H new ATOM 0 HA HIS A 34 97.781 6.089 -2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 34 98.058 6.193 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.651 7.477 -0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.920 9.012 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.183 5.902 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.419 9.503 -1.941 1.00 0.00 H new ATOM 579 N ASP A 35 100.149 4.357 -1.480 1.00 0.00 N ATOM 580 CA ASP A 35 101.567 4.019 -1.659 1.00 0.00 C ATOM 581 C ASP A 35 101.935 2.744 -0.908 1.00 0.00 C ATOM 582 O ASP A 35 101.212 2.302 -0.014 1.00 0.00 O ATOM 583 CB ASP A 35 102.467 5.173 -1.202 1.00 0.00 C ATOM 584 CG ASP A 35 102.397 5.316 0.315 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.990 4.495 0.994 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.752 6.245 0.774 1.00 0.00 O ATOM 0 H ASP A 35 99.641 3.773 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 35 101.727 3.848 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.496 4.988 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.153 6.102 -1.679 1.00 0.00 H new ATOM 591 N VAL A 36 103.069 2.155 -1.289 1.00 0.00 N ATOM 592 CA VAL A 36 103.541 0.922 -0.665 1.00 0.00 C ATOM 593 C VAL A 36 105.063 0.901 -0.572 1.00 0.00 C ATOM 594 O VAL A 36 105.752 1.712 -1.191 1.00 0.00 O ATOM 595 CB VAL A 36 103.065 -0.294 -1.475 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.946 -0.466 -2.718 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.151 -1.565 -0.622 1.00 0.00 C ATOM 0 H VAL A 36 103.676 2.513 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 36 103.129 0.878 0.343 1.00 0.00 H new ATOM 0 HB VAL A 36 102.030 -0.129 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.605 -1.329 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.880 0.428 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.981 -0.619 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.811 -2.420 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.183 -1.726 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.520 -1.455 0.260 1.00 0.00 H new ATOM 607 N SER A 37 105.568 -0.063 0.183 1.00 0.00 N ATOM 608 CA SER A 37 106.998 -0.260 0.358 1.00 0.00 C ATOM 609 C SER A 37 107.249 -1.762 0.402 1.00 0.00 C ATOM 610 O SER A 37 106.302 -2.539 0.525 1.00 0.00 O ATOM 611 CB SER A 37 107.474 0.393 1.656 1.00 0.00 C ATOM 612 OG SER A 37 108.896 0.368 1.700 1.00 0.00 O ATOM 0 H SER A 37 104.994 -0.734 0.694 1.00 0.00 H new ATOM 0 HA SER A 37 107.548 0.199 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.115 1.421 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.063 -0.136 2.515 1.00 0.00 H new ATOM 0 HG SER A 37 109.205 0.787 2.530 1.00 0.00 H new ATOM 618 N LEU A 38 108.497 -2.187 0.298 1.00 0.00 N ATOM 619 CA LEU A 38 108.770 -3.617 0.325 1.00 0.00 C ATOM 620 C LEU A 38 108.345 -4.221 1.662 1.00 0.00 C ATOM 621 O LEU A 38 108.517 -5.418 1.891 1.00 0.00 O ATOM 622 CB LEU A 38 110.256 -3.897 0.065 1.00 0.00 C ATOM 623 CG LEU A 38 110.748 -3.063 -1.131 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.533 -1.847 -0.629 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.661 -3.917 -2.016 1.00 0.00 C ATOM 0 H LEU A 38 109.315 -1.586 0.197 1.00 0.00 H new ATOM 0 HA LEU A 38 108.189 -4.084 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.841 -3.655 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.405 -4.958 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 38 109.885 -2.729 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.879 -1.260 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 38 110.888 -1.231 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.391 -2.183 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.007 -3.323 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.519 -4.255 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 38 111.108 -4.782 -2.382 1.00 0.00 H new ATOM 637 N HIS A 39 107.788 -3.392 2.546 1.00 0.00 N ATOM 638 CA HIS A 39 107.348 -3.880 3.849 1.00 0.00 C ATOM 639 C HIS A 39 106.491 -2.838 4.574 1.00 0.00 C ATOM 640 O HIS A 39 106.669 -2.596 5.768 1.00 0.00 O ATOM 641 CB HIS A 39 108.567 -4.233 4.703 1.00 0.00 C ATOM 642 CG HIS A 39 109.625 -3.183 4.511 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.960 -3.416 4.800 1.00 0.00 N ATOM 644 CD2 HIS A 39 109.560 -1.891 4.055 1.00 0.00 C ATOM 645 CE1 HIS A 39 111.640 -2.288 4.515 1.00 0.00 C ATOM 646 NE2 HIS A 39 110.833 -1.328 4.058 1.00 0.00 N ATOM 0 H HIS A 39 107.634 -2.397 2.386 1.00 0.00 H new ATOM 0 HA HIS A 39 106.737 -4.769 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.284 -4.294 5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.953 -5.212 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.658 -1.387 3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 39 112.707 -2.175 4.641 1.00 0.00 H new ATOM 0 HE2 HIS A 39 111.093 -0.384 3.772 1.00 0.00 H new ATOM 654 N GLY A 40 105.557 -2.230 3.847 1.00 0.00 N ATOM 655 CA GLY A 40 104.676 -1.222 4.431 1.00 0.00 C ATOM 656 C GLY A 40 103.666 -0.729 3.398 1.00 0.00 C ATOM 657 O GLY A 40 103.946 -0.738 2.206 1.00 0.00 O ATOM 0 H GLY A 40 105.391 -2.416 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.151 -1.643 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.267 -0.383 4.799 1.00 0.00 H new ATOM 661 N ILE A 41 102.483 -0.318 3.854 1.00 0.00 N ATOM 662 CA ILE A 41 101.447 0.152 2.935 1.00 0.00 C ATOM 663 C ILE A 41 100.592 1.255 3.564 1.00 0.00 C ATOM 664 O ILE A 41 100.358 1.272 4.769 1.00 0.00 O ATOM 665 CB ILE A 41 100.564 -1.039 2.503 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.080 -0.633 2.460 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.743 -2.196 3.487 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.240 -1.773 1.869 1.00 0.00 C ATOM 0 H ILE A 41 102.220 -0.301 4.839 1.00 0.00 H new ATOM 0 HA ILE A 41 101.934 0.581 2.059 1.00 0.00 H new ATOM 0 HB ILE A 41 100.871 -1.350 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.730 -0.396 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.958 0.268 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.119 -3.035 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.788 -2.506 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.450 -1.873 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.191 -1.476 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.581 -1.990 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.350 -2.664 2.487 1.00 0.00 H new ATOM 680 N LEU A 42 100.114 2.158 2.708 1.00 0.00 N ATOM 681 CA LEU A 42 99.253 3.265 3.129 1.00 0.00 C ATOM 682 C LEU A 42 97.941 3.167 2.355 1.00 0.00 C ATOM 683 O LEU A 42 97.945 2.839 1.170 1.00 0.00 O ATOM 684 CB LEU A 42 99.935 4.611 2.823 1.00 0.00 C ATOM 685 CG LEU A 42 99.659 5.626 3.939 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.596 6.826 3.774 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.209 6.110 3.857 1.00 0.00 C ATOM 0 H LEU A 42 100.311 2.144 1.707 1.00 0.00 H new ATOM 0 HA LEU A 42 99.068 3.207 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 101.010 4.464 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.571 5.001 1.872 1.00 0.00 H new ATOM 0 HG LEU A 42 99.828 5.150 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.403 7.550 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.631 6.490 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.422 7.293 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.020 6.831 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.038 6.584 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.535 5.261 3.969 1.00 0.00 H new ATOM 699 N VAL A 43 96.820 3.424 3.017 1.00 0.00 N ATOM 700 CA VAL A 43 95.528 3.322 2.340 1.00 0.00 C ATOM 701 C VAL A 43 94.548 4.386 2.815 1.00 0.00 C ATOM 702 O VAL A 43 94.817 5.129 3.759 1.00 0.00 O ATOM 703 CB VAL A 43 94.927 1.937 2.578 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.919 0.866 2.121 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.636 1.758 4.069 1.00 0.00 C ATOM 0 H VAL A 43 96.774 3.698 3.998 1.00 0.00 H new ATOM 0 HA VAL A 43 95.703 3.479 1.276 1.00 0.00 H new ATOM 0 HB VAL A 43 94.001 1.840 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.491 -0.122 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 43 96.128 0.994 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.845 0.962 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.207 0.771 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.563 1.854 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.930 2.522 4.396 1.00 0.00 H new ATOM 715 N GLY A 44 93.387 4.412 2.166 1.00 0.00 N ATOM 716 CA GLY A 44 92.320 5.347 2.535 1.00 0.00 C ATOM 717 C GLY A 44 91.306 4.628 3.423 1.00 0.00 C ATOM 718 O GLY A 44 91.063 3.435 3.234 1.00 0.00 O ATOM 0 H GLY A 44 93.158 3.799 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.738 6.205 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.830 5.730 1.640 1.00 0.00 H new ATOM 722 N GLN A 45 90.734 5.320 4.411 1.00 0.00 N ATOM 723 CA GLN A 45 89.784 4.673 5.318 1.00 0.00 C ATOM 724 C GLN A 45 88.356 4.692 4.764 1.00 0.00 C ATOM 725 O GLN A 45 87.790 5.761 4.542 1.00 0.00 O ATOM 726 CB GLN A 45 89.805 5.393 6.677 1.00 0.00 C ATOM 727 CG GLN A 45 89.103 6.756 6.576 1.00 0.00 C ATOM 728 CD GLN A 45 87.615 6.610 6.883 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.775 7.143 6.158 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.236 5.916 7.921 1.00 0.00 N ATOM 0 H GLN A 45 90.907 6.307 4.601 1.00 0.00 H new ATOM 0 HA GLN A 45 90.088 3.632 5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.310 4.778 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.835 5.531 7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.558 7.459 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.236 7.168 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.933 5.475 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.243 5.815 8.132 1.00 0.00 H new ATOM 739 N PRO A 46 87.745 3.554 4.556 1.00 0.00 N ATOM 740 CA PRO A 46 86.349 3.496 4.057 1.00 0.00 C ATOM 741 C PRO A 46 85.350 3.581 5.216 1.00 0.00 C ATOM 742 O PRO A 46 85.705 3.329 6.367 1.00 0.00 O ATOM 743 CB PRO A 46 86.298 2.144 3.360 1.00 0.00 C ATOM 744 CG PRO A 46 87.219 1.279 4.168 1.00 0.00 C ATOM 745 CD PRO A 46 88.300 2.209 4.748 1.00 0.00 C ATOM 0 HA PRO A 46 86.083 4.322 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.285 1.742 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.628 2.217 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.675 0.773 4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.667 0.504 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.485 1.999 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.251 2.091 4.228 1.00 0.00 H new ATOM 753 N GLN A 47 84.112 3.955 4.914 1.00 0.00 N ATOM 754 CA GLN A 47 83.085 4.091 5.948 1.00 0.00 C ATOM 755 C GLN A 47 82.737 2.749 6.603 1.00 0.00 C ATOM 756 O GLN A 47 82.520 2.682 7.814 1.00 0.00 O ATOM 757 CB GLN A 47 81.822 4.703 5.332 1.00 0.00 C ATOM 758 CG GLN A 47 82.004 6.219 5.197 1.00 0.00 C ATOM 759 CD GLN A 47 80.927 6.796 4.283 1.00 0.00 C ATOM 760 OE1 GLN A 47 80.000 6.088 3.889 1.00 0.00 O ATOM 761 NE2 GLN A 47 80.995 8.048 3.920 1.00 0.00 N ATOM 0 H GLN A 47 83.793 4.169 3.969 1.00 0.00 H new ATOM 0 HA GLN A 47 83.484 4.741 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.630 4.260 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.956 4.484 5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 47 81.949 6.689 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.992 6.440 4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.764 8.633 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 80.279 8.441 3.309 1.00 0.00 H new ATOM 770 N ASP A 48 82.658 1.691 5.802 1.00 0.00 N ATOM 771 CA ASP A 48 82.304 0.365 6.322 1.00 0.00 C ATOM 772 C ASP A 48 83.451 -0.264 7.114 1.00 0.00 C ATOM 773 O ASP A 48 83.387 -1.438 7.477 1.00 0.00 O ATOM 774 CB ASP A 48 81.920 -0.559 5.162 1.00 0.00 C ATOM 775 CG ASP A 48 80.467 -0.328 4.754 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.669 -0.018 5.623 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.174 -0.466 3.578 1.00 0.00 O ATOM 0 H ASP A 48 82.832 1.720 4.797 1.00 0.00 H new ATOM 0 HA ASP A 48 81.459 0.492 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.576 -0.377 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.061 -1.599 5.456 1.00 0.00 H new ATOM 782 N TRP A 49 84.497 0.507 7.366 1.00 0.00 N ATOM 783 CA TRP A 49 85.652 -0.001 8.102 1.00 0.00 C ATOM 784 C TRP A 49 85.270 -0.486 9.496 1.00 0.00 C ATOM 785 O TRP A 49 85.648 0.122 10.493 1.00 0.00 O ATOM 786 CB TRP A 49 86.693 1.097 8.240 1.00 0.00 C ATOM 787 CG TRP A 49 87.960 0.532 8.800 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.289 0.511 10.108 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.050 -0.086 8.085 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.543 -0.075 10.247 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.060 -0.449 9.013 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.255 -0.351 6.725 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.243 -1.058 8.576 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.433 -0.961 6.290 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.424 -1.307 7.208 1.00 0.00 C ATOM 0 H TRP A 49 84.574 1.482 7.075 1.00 0.00 H new ATOM 0 HA TRP A 49 86.051 -0.845 7.540 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.886 1.551 7.268 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.317 1.886 8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.679 0.888 10.915 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.020 -0.212 11.138 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.495 -0.081 6.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.009 -1.333 9.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.577 -1.166 5.239 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.337 -1.770 6.863 1.00 0.00 H new ATOM 806 N ASN A 50 84.538 -1.589 9.570 1.00 0.00 N ATOM 807 CA ASN A 50 84.156 -2.131 10.873 1.00 0.00 C ATOM 808 C ASN A 50 85.173 -3.179 11.320 1.00 0.00 C ATOM 809 O ASN A 50 84.933 -4.380 11.201 1.00 0.00 O ATOM 810 CB ASN A 50 82.755 -2.743 10.822 1.00 0.00 C ATOM 811 CG ASN A 50 82.241 -2.984 12.238 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.145 -2.542 12.586 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.971 -3.664 13.080 1.00 0.00 N ATOM 0 H ASN A 50 84.202 -2.118 8.765 1.00 0.00 H new ATOM 0 HA ASN A 50 84.143 -1.314 11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.077 -2.077 10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.779 -3.682 10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.634 -3.830 14.028 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.878 -4.029 12.790 1.00 0.00 H new ATOM 820 N GLY A 51 86.313 -2.715 11.831 1.00 0.00 N ATOM 821 CA GLY A 51 87.365 -3.624 12.286 1.00 0.00 C ATOM 822 C GLY A 51 88.059 -3.096 13.536 1.00 0.00 C ATOM 823 O GLY A 51 87.997 -1.905 13.842 1.00 0.00 O ATOM 0 H GLY A 51 86.531 -1.725 11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.935 -4.604 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.099 -3.760 11.491 1.00 0.00 H new ATOM 827 N ASP A 52 88.715 -4.002 14.253 1.00 0.00 N ATOM 828 CA ASP A 52 89.425 -3.647 15.478 1.00 0.00 C ATOM 829 C ASP A 52 90.905 -3.359 15.185 1.00 0.00 C ATOM 830 O ASP A 52 91.660 -4.270 14.849 1.00 0.00 O ATOM 831 CB ASP A 52 89.322 -4.805 16.475 1.00 0.00 C ATOM 832 CG ASP A 52 87.992 -4.740 17.221 1.00 0.00 C ATOM 833 OD1 ASP A 52 87.025 -4.287 16.630 1.00 0.00 O ATOM 834 OD2 ASP A 52 87.960 -5.147 18.370 1.00 0.00 O ATOM 0 H ASP A 52 88.770 -4.990 14.007 1.00 0.00 H new ATOM 0 HA ASP A 52 88.971 -2.749 15.897 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.407 -5.756 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.148 -4.759 17.184 1.00 0.00 H new ATOM 839 N PRO A 53 91.332 -2.121 15.309 1.00 0.00 N ATOM 840 CA PRO A 53 92.755 -1.732 15.053 1.00 0.00 C ATOM 841 C PRO A 53 93.742 -2.656 15.750 1.00 0.00 C ATOM 842 O PRO A 53 94.902 -2.758 15.347 1.00 0.00 O ATOM 843 CB PRO A 53 92.846 -0.311 15.620 1.00 0.00 C ATOM 844 CG PRO A 53 91.459 0.234 15.540 1.00 0.00 C ATOM 845 CD PRO A 53 90.514 -0.957 15.702 1.00 0.00 C ATOM 0 HA PRO A 53 93.011 -1.795 13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.206 -0.320 16.649 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.542 0.299 15.044 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.288 0.974 16.321 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.293 0.734 14.586 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.159 -1.048 16.729 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.633 -0.856 15.068 1.00 0.00 H new ATOM 853 N GLN A 54 93.287 -3.315 16.806 1.00 0.00 N ATOM 854 CA GLN A 54 94.155 -4.207 17.558 1.00 0.00 C ATOM 855 C GLN A 54 94.337 -5.549 16.852 1.00 0.00 C ATOM 856 O GLN A 54 95.331 -6.240 17.076 1.00 0.00 O ATOM 857 CB GLN A 54 93.581 -4.437 18.957 1.00 0.00 C ATOM 858 CG GLN A 54 93.505 -3.104 19.716 1.00 0.00 C ATOM 859 CD GLN A 54 94.701 -2.962 20.653 1.00 0.00 C ATOM 860 OE1 GLN A 54 95.465 -2.003 20.548 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.907 -3.868 21.569 1.00 0.00 N ATOM 0 H GLN A 54 92.332 -3.250 17.158 1.00 0.00 H new ATOM 0 HA GLN A 54 95.133 -3.731 17.632 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.588 -4.881 18.884 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.206 -5.142 19.505 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.488 -2.275 19.009 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.578 -3.055 20.288 1.00 0.00 H new ATOM 0 HE21 GLN A 54 94.272 -4.662 21.653 1.00 0.00 H new ATOM 0 HE22 GLN A 54 95.703 -3.783 22.201 1.00 0.00 H new ATOM 870 N ARG A 55 93.381 -5.920 16.004 1.00 0.00 N ATOM 871 CA ARG A 55 93.476 -7.190 15.284 1.00 0.00 C ATOM 872 C ARG A 55 94.102 -6.969 13.908 1.00 0.00 C ATOM 873 O ARG A 55 93.957 -5.902 13.318 1.00 0.00 O ATOM 874 CB ARG A 55 92.089 -7.826 15.139 1.00 0.00 C ATOM 875 CG ARG A 55 91.658 -8.446 16.472 1.00 0.00 C ATOM 876 CD ARG A 55 90.469 -9.380 16.239 1.00 0.00 C ATOM 877 NE ARG A 55 90.809 -10.392 15.245 1.00 0.00 N ATOM 878 CZ ARG A 55 91.697 -11.345 15.511 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.274 -11.392 16.680 1.00 0.00 N ATOM 880 NH2 ARG A 55 91.992 -12.236 14.603 1.00 0.00 N ATOM 0 H ARG A 55 92.545 -5.372 15.800 1.00 0.00 H new ATOM 0 HA ARG A 55 94.111 -7.868 15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.365 -7.073 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.109 -8.590 14.362 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.487 -8.999 16.913 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.385 -7.662 17.179 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.186 -9.861 17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.606 -8.805 15.902 1.00 0.00 H new ATOM 0 HE ARG A 55 90.358 -10.368 14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 55 92.044 -10.697 17.391 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.955 -12.123 16.883 1.00 0.00 H new ATOM 0 HH21 ARG A 55 91.541 -12.201 13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 55 92.673 -12.967 14.808 1.00 0.00 H new ATOM 894 N PRO A 56 94.814 -7.945 13.404 1.00 0.00 N ATOM 895 CA PRO A 56 95.505 -7.848 12.083 1.00 0.00 C ATOM 896 C PRO A 56 94.545 -7.678 10.910 1.00 0.00 C ATOM 897 O PRO A 56 93.356 -7.982 11.001 1.00 0.00 O ATOM 898 CB PRO A 56 96.291 -9.161 11.971 1.00 0.00 C ATOM 899 CG PRO A 56 95.613 -10.108 12.905 1.00 0.00 C ATOM 900 CD PRO A 56 95.042 -9.257 14.037 1.00 0.00 C ATOM 0 HA PRO A 56 96.139 -6.963 12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.279 -9.540 10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.336 -9.018 12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.822 -10.658 12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.317 -10.846 13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.117 -9.679 14.428 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.737 -9.183 14.873 1.00 0.00 H new ATOM 908 N PHE A 57 95.099 -7.196 9.801 1.00 0.00 N ATOM 909 CA PHE A 57 94.340 -6.980 8.576 1.00 0.00 C ATOM 910 C PHE A 57 95.094 -7.615 7.407 1.00 0.00 C ATOM 911 O PHE A 57 96.309 -7.801 7.488 1.00 0.00 O ATOM 912 CB PHE A 57 94.208 -5.475 8.306 1.00 0.00 C ATOM 913 CG PHE A 57 93.512 -4.783 9.459 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.195 -4.561 10.661 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.189 -4.346 9.319 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.553 -3.907 11.722 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.548 -3.692 10.377 1.00 0.00 C ATOM 918 CZ PHE A 57 92.229 -3.472 11.577 1.00 0.00 C ATOM 0 H PHE A 57 96.085 -6.945 9.728 1.00 0.00 H new ATOM 0 HA PHE A 57 93.351 -7.425 8.682 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.196 -5.039 8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.646 -5.313 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.217 -4.894 10.771 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.662 -4.514 8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.079 -3.739 12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.527 -3.357 10.266 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.735 -2.966 12.393 1.00 0.00 H new ATOM 928 N GLU A 58 94.401 -7.918 6.311 1.00 0.00 N ATOM 929 CA GLU A 58 95.073 -8.492 5.141 1.00 0.00 C ATOM 930 C GLU A 58 94.841 -7.577 3.950 1.00 0.00 C ATOM 931 O GLU A 58 93.734 -7.092 3.757 1.00 0.00 O ATOM 932 CB GLU A 58 94.544 -9.896 4.848 1.00 0.00 C ATOM 933 CG GLU A 58 94.634 -10.750 6.114 1.00 0.00 C ATOM 934 CD GLU A 58 94.305 -12.202 5.789 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.702 -12.434 4.752 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.658 -13.061 6.579 1.00 0.00 O ATOM 0 H GLU A 58 93.396 -7.781 6.206 1.00 0.00 H new ATOM 0 HA GLU A 58 96.142 -8.576 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.511 -9.843 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.123 -10.354 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.636 -10.682 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.943 -10.372 6.867 1.00 0.00 H new ATOM 943 N ALA A 59 95.878 -7.300 3.171 1.00 0.00 N ATOM 944 CA ALA A 59 95.743 -6.396 2.037 1.00 0.00 C ATOM 945 C ALA A 59 96.039 -7.097 0.724 1.00 0.00 C ATOM 946 O ALA A 59 97.000 -7.858 0.608 1.00 0.00 O ATOM 947 CB ALA A 59 96.737 -5.238 2.209 1.00 0.00 C ATOM 0 H ALA A 59 96.814 -7.684 3.301 1.00 0.00 H new ATOM 0 HA ALA A 59 94.715 -6.035 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.647 -4.553 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.519 -4.705 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.752 -5.633 2.248 1.00 0.00 H new ATOM 953 N ARG A 60 95.220 -6.798 -0.273 1.00 0.00 N ATOM 954 CA ARG A 60 95.403 -7.358 -1.602 1.00 0.00 C ATOM 955 C ARG A 60 95.495 -6.217 -2.599 1.00 0.00 C ATOM 956 O ARG A 60 94.642 -5.329 -2.606 1.00 0.00 O ATOM 957 CB ARG A 60 94.214 -8.254 -1.956 1.00 0.00 C ATOM 958 CG ARG A 60 94.333 -9.585 -1.207 1.00 0.00 C ATOM 959 CD ARG A 60 93.442 -10.627 -1.877 1.00 0.00 C ATOM 960 NE ARG A 60 92.035 -10.299 -1.665 1.00 0.00 N ATOM 961 CZ ARG A 60 91.101 -10.684 -2.528 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.429 -11.378 -3.584 1.00 0.00 N ATOM 963 NH2 ARG A 60 89.852 -10.370 -2.318 1.00 0.00 N ATOM 0 H ARG A 60 94.421 -6.170 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 60 96.315 -7.955 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.280 -7.758 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.187 -8.431 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.369 -9.923 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 60 94.040 -9.456 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 60 93.657 -10.667 -2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.658 -11.615 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 60 91.764 -9.765 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.405 -11.626 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.710 -11.672 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 60 89.594 -9.830 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 89.134 -10.665 -2.980 1.00 0.00 H new ATOM 977 N LEU A 61 96.534 -6.213 -3.424 1.00 0.00 N ATOM 978 CA LEU A 61 96.708 -5.131 -4.389 1.00 0.00 C ATOM 979 C LEU A 61 96.403 -5.603 -5.801 1.00 0.00 C ATOM 980 O LEU A 61 96.721 -6.733 -6.172 1.00 0.00 O ATOM 981 CB LEU A 61 98.143 -4.600 -4.325 1.00 0.00 C ATOM 982 CG LEU A 61 98.611 -4.546 -2.867 1.00 0.00 C ATOM 983 CD1 LEU A 61 100.043 -4.008 -2.814 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.688 -3.621 -2.066 1.00 0.00 C ATOM 0 H LEU A 61 97.258 -6.931 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 61 96.010 -4.334 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.805 -5.243 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.193 -3.606 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 61 98.581 -5.547 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.379 -3.968 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.700 -4.665 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.071 -3.006 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.022 -3.583 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.717 -2.619 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.668 -4.002 -2.105 1.00 0.00 H new ATOM 996 N TYR A 62 95.793 -4.723 -6.589 1.00 0.00 N ATOM 997 CA TYR A 62 95.457 -5.052 -7.969 1.00 0.00 C ATOM 998 C TYR A 62 96.032 -4.003 -8.917 1.00 0.00 C ATOM 999 O TYR A 62 95.546 -2.868 -8.982 1.00 0.00 O ATOM 1000 CB TYR A 62 93.939 -5.132 -8.146 1.00 0.00 C ATOM 1001 CG TYR A 62 93.334 -5.948 -7.027 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.200 -5.395 -5.747 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.898 -7.255 -7.273 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.631 -6.150 -4.714 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.330 -8.011 -6.240 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.196 -7.458 -4.961 1.00 0.00 C ATOM 1007 OH TYR A 62 91.634 -8.202 -3.943 1.00 0.00 O ATOM 0 H TYR A 62 95.523 -3.783 -6.298 1.00 0.00 H new ATOM 0 HA TYR A 62 95.891 -6.023 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.511 -4.130 -8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.699 -5.584 -9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.536 -4.386 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.000 -7.681 -8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.528 -5.724 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 62 91.996 -9.020 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 62 90.786 -8.587 -4.249 1.00 0.00 H new ATOM 1017 N LEU A 63 97.071 -4.401 -9.648 1.00 0.00 N ATOM 1018 CA LEU A 63 97.726 -3.515 -10.605 1.00 0.00 C ATOM 1019 C LEU A 63 97.316 -3.906 -12.022 1.00 0.00 C ATOM 1020 O LEU A 63 96.362 -3.360 -12.573 1.00 0.00 O ATOM 1021 CB LEU A 63 99.249 -3.617 -10.440 1.00 0.00 C ATOM 1022 CG LEU A 63 99.913 -2.333 -10.937 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.428 -2.469 -10.810 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.543 -2.094 -12.404 1.00 0.00 C ATOM 0 H LEU A 63 97.478 -5.335 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 63 97.422 -2.484 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.500 -3.784 -9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.628 -4.473 -10.999 1.00 0.00 H new ATOM 0 HG LEU A 63 99.568 -1.490 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.906 -1.555 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.692 -2.636 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.769 -3.313 -11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.018 -1.178 -12.754 1.00 0.00 H new ATOM 0 HD22 LEU A 63 99.886 -2.934 -13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.461 -1.999 -12.496 1.00 0.00 H new ATOM 1036 N GLY A 64 98.023 -4.875 -12.598 1.00 0.00 N ATOM 1037 CA GLY A 64 97.695 -5.349 -13.934 1.00 0.00 C ATOM 1038 C GLY A 64 96.436 -6.201 -13.866 1.00 0.00 C ATOM 1039 O GLY A 64 95.889 -6.412 -12.784 1.00 0.00 O ATOM 0 H GLY A 64 98.819 -5.342 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.541 -4.504 -14.605 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.522 -5.932 -14.340 1.00 0.00 H new ATOM 1043 N LEU A 65 95.964 -6.689 -15.005 1.00 0.00 N ATOM 1044 CA LEU A 65 94.759 -7.507 -14.999 1.00 0.00 C ATOM 1045 C LEU A 65 95.070 -8.896 -14.454 1.00 0.00 C ATOM 1046 O LEU A 65 94.219 -9.533 -13.834 1.00 0.00 O ATOM 1047 CB LEU A 65 94.176 -7.614 -16.409 1.00 0.00 C ATOM 1048 CG LEU A 65 93.498 -6.294 -16.789 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.517 -5.152 -16.737 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.933 -6.410 -18.208 1.00 0.00 C ATOM 0 H LEU A 65 96.384 -6.539 -15.922 1.00 0.00 H new ATOM 0 HA LEU A 65 94.021 -7.031 -14.354 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.966 -7.847 -17.123 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.455 -8.430 -16.454 1.00 0.00 H new ATOM 0 HG LEU A 65 92.692 -6.085 -16.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.029 -4.216 -17.008 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.922 -5.071 -15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 65 95.327 -5.355 -17.438 1.00 0.00 H new ATOM 0 HD21 LEU A 65 92.449 -5.473 -18.485 1.00 0.00 H new ATOM 0 HD22 LEU A 65 93.743 -6.620 -18.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.204 -7.220 -18.244 1.00 0.00 H new ATOM 1062 N ASP A 66 96.293 -9.358 -14.691 1.00 0.00 N ATOM 1063 CA ASP A 66 96.750 -10.668 -14.240 1.00 0.00 C ATOM 1064 C ASP A 66 97.668 -10.534 -13.027 1.00 0.00 C ATOM 1065 O ASP A 66 98.310 -11.502 -12.617 1.00 0.00 O ATOM 1066 CB ASP A 66 97.549 -11.304 -15.379 1.00 0.00 C ATOM 1067 CG ASP A 66 96.877 -11.005 -16.715 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.106 -9.929 -17.243 1.00 0.00 O ATOM 1069 OD2 ASP A 66 96.143 -11.856 -17.190 1.00 0.00 O ATOM 0 H ASP A 66 97.000 -8.831 -15.204 1.00 0.00 H new ATOM 0 HA ASP A 66 95.888 -11.275 -13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.568 -10.917 -15.380 1.00 0.00 H new ATOM 0 HB3 ASP A 66 97.617 -12.382 -15.229 1.00 0.00 H new ATOM 1074 N VAL A 67 97.746 -9.327 -12.467 1.00 0.00 N ATOM 1075 CA VAL A 67 98.615 -9.086 -11.314 1.00 0.00 C ATOM 1076 C VAL A 67 97.819 -8.949 -10.023 1.00 0.00 C ATOM 1077 O VAL A 67 97.335 -7.866 -9.682 1.00 0.00 O ATOM 1078 CB VAL A 67 99.458 -7.823 -11.542 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.037 -7.327 -10.209 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.610 -8.148 -12.500 1.00 0.00 C ATOM 0 H VAL A 67 97.226 -8.510 -12.787 1.00 0.00 H new ATOM 0 HA VAL A 67 99.271 -9.951 -11.212 1.00 0.00 H new ATOM 0 HB VAL A 67 98.825 -7.046 -11.970 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.633 -6.431 -10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.223 -7.094 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.667 -8.103 -9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.210 -7.253 -12.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.234 -8.929 -12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.206 -8.493 -13.452 1.00 0.00 H new ATOM 1090 N LEU A 68 97.718 -10.056 -9.298 1.00 0.00 N ATOM 1091 CA LEU A 68 97.020 -10.082 -8.023 1.00 0.00 C ATOM 1092 C LEU A 68 98.046 -10.337 -6.926 1.00 0.00 C ATOM 1093 O LEU A 68 98.706 -11.378 -6.913 1.00 0.00 O ATOM 1094 CB LEU A 68 95.952 -11.190 -8.046 1.00 0.00 C ATOM 1095 CG LEU A 68 95.689 -11.728 -6.636 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.186 -10.599 -5.735 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.621 -12.821 -6.706 1.00 0.00 C ATOM 0 H LEU A 68 98.115 -10.954 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 68 96.518 -9.133 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.026 -10.799 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.280 -12.003 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 68 96.615 -12.134 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.001 -10.988 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.938 -9.811 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.261 -10.192 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.430 -13.208 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.701 -12.405 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.970 -13.630 -7.347 1.00 0.00 H new ATOM 1109 N ILE A 69 98.197 -9.375 -6.023 1.00 0.00 N ATOM 1110 CA ILE A 69 99.173 -9.501 -4.944 1.00 0.00 C ATOM 1111 C ILE A 69 98.481 -9.628 -3.592 1.00 0.00 C ATOM 1112 O ILE A 69 97.452 -9.000 -3.347 1.00 0.00 O ATOM 1113 CB ILE A 69 100.091 -8.278 -4.955 1.00 0.00 C ATOM 1114 CG1 ILE A 69 100.513 -7.978 -6.402 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.326 -8.540 -4.087 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.252 -9.179 -6.995 1.00 0.00 C ATOM 0 H ILE A 69 97.662 -8.506 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 69 99.761 -10.405 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 69 99.559 -7.419 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 69 99.634 -7.748 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 69 101.155 -7.098 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.973 -7.663 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 69 101.014 -8.744 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.870 -9.399 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.546 -8.955 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 69 102.141 -9.389 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 69 100.596 -10.050 -6.988 1.00 0.00 H new ATOM 1128 N ARG A 70 99.069 -10.440 -2.712 1.00 0.00 N ATOM 1129 CA ARG A 70 98.519 -10.641 -1.373 1.00 0.00 C ATOM 1130 C ARG A 70 99.591 -10.398 -0.317 1.00 0.00 C ATOM 1131 O ARG A 70 100.706 -10.932 -0.396 1.00 0.00 O ATOM 1132 CB ARG A 70 97.959 -12.057 -1.234 1.00 0.00 C ATOM 1133 CG ARG A 70 97.069 -12.382 -2.436 1.00 0.00 C ATOM 1134 CD ARG A 70 96.634 -13.846 -2.363 1.00 0.00 C ATOM 1135 NE ARG A 70 95.666 -14.029 -1.288 1.00 0.00 N ATOM 1136 CZ ARG A 70 95.518 -15.203 -0.682 1.00 0.00 C ATOM 1137 NH1 ARG A 70 96.248 -16.223 -1.044 1.00 0.00 N ATOM 1138 NH2 ARG A 70 94.644 -15.335 0.277 1.00 0.00 N ATOM 0 H ARG A 70 99.922 -10.966 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 70 97.709 -9.927 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.775 -12.776 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.385 -12.142 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 70 96.195 -11.731 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 70 97.610 -12.198 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 70 96.196 -14.151 -3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.502 -14.483 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 70 95.090 -13.240 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.933 -16.120 -1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 70 96.133 -17.123 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 70 94.075 -14.538 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 70 94.530 -16.235 0.743 1.00 0.00 H new ATOM 1152 N MET A 71 99.238 -9.583 0.671 1.00 0.00 N ATOM 1153 CA MET A 71 100.151 -9.244 1.750 1.00 0.00 C ATOM 1154 C MET A 71 99.377 -9.154 3.062 1.00 0.00 C ATOM 1155 O MET A 71 98.219 -8.744 3.075 1.00 0.00 O ATOM 1156 CB MET A 71 100.839 -7.893 1.454 1.00 0.00 C ATOM 1157 CG MET A 71 100.772 -7.565 -0.048 1.00 0.00 C ATOM 1158 SD MET A 71 102.140 -6.467 -0.509 1.00 0.00 S ATOM 1159 CE MET A 71 102.036 -5.325 0.889 1.00 0.00 C ATOM 0 H MET A 71 98.320 -9.144 0.744 1.00 0.00 H new ATOM 0 HA MET A 71 100.914 -10.018 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.356 -7.101 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.879 -7.931 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.821 -8.484 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.819 -7.090 -0.282 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.581 -4.411 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 71 100.991 -5.084 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.473 -5.791 1.772 1.00 0.00 H new ATOM 1169 N GLU A 72 100.027 -9.508 4.164 1.00 0.00 N ATOM 1170 CA GLU A 72 99.383 -9.428 5.475 1.00 0.00 C ATOM 1171 C GLU A 72 99.896 -8.182 6.175 1.00 0.00 C ATOM 1172 O GLU A 72 101.106 -7.962 6.224 1.00 0.00 O ATOM 1173 CB GLU A 72 99.698 -10.673 6.305 1.00 0.00 C ATOM 1174 CG GLU A 72 98.823 -10.684 7.562 1.00 0.00 C ATOM 1175 CD GLU A 72 99.373 -11.687 8.572 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.525 -11.549 8.947 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.634 -12.580 8.952 1.00 0.00 O ATOM 0 H GLU A 72 100.988 -9.850 4.180 1.00 0.00 H new ATOM 0 HA GLU A 72 98.301 -9.375 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.517 -11.572 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.752 -10.681 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.795 -9.688 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.798 -10.945 7.299 1.00 0.00 H new ATOM 1184 N ILE A 73 98.998 -7.342 6.680 1.00 0.00 N ATOM 1185 CA ILE A 73 99.439 -6.103 7.317 1.00 0.00 C ATOM 1186 C ILE A 73 98.694 -5.807 8.616 1.00 0.00 C ATOM 1187 O ILE A 73 97.576 -6.271 8.835 1.00 0.00 O ATOM 1188 CB ILE A 73 99.191 -4.945 6.350 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.727 -4.997 5.895 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.121 -5.055 5.127 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.404 -3.775 5.036 1.00 0.00 C ATOM 0 H ILE A 73 97.989 -7.488 6.663 1.00 0.00 H new ATOM 0 HA ILE A 73 100.496 -6.218 7.558 1.00 0.00 H new ATOM 0 HB ILE A 73 99.397 -4.000 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.546 -5.909 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.068 -5.026 6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.931 -4.223 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.160 -5.025 5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.931 -5.995 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.363 -3.819 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.567 -2.868 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.052 -3.765 4.159 1.00 0.00 H new ATOM 1203 N SER A 74 99.331 -4.996 9.460 1.00 0.00 N ATOM 1204 CA SER A 74 98.743 -4.583 10.734 1.00 0.00 C ATOM 1205 C SER A 74 98.670 -3.057 10.789 1.00 0.00 C ATOM 1206 O SER A 74 99.435 -2.372 10.112 1.00 0.00 O ATOM 1207 CB SER A 74 99.589 -5.103 11.901 1.00 0.00 C ATOM 1208 OG SER A 74 100.961 -5.073 11.534 1.00 0.00 O ATOM 0 H SER A 74 100.259 -4.610 9.283 1.00 0.00 H new ATOM 0 HA SER A 74 97.739 -5.000 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.424 -4.490 12.787 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.291 -6.120 12.157 1.00 0.00 H new ATOM 0 HG SER A 74 101.516 -5.090 12.341 1.00 0.00 H new ATOM 1214 N LEU A 75 97.750 -2.524 11.590 1.00 0.00 N ATOM 1215 CA LEU A 75 97.612 -1.073 11.695 1.00 0.00 C ATOM 1216 C LEU A 75 98.805 -0.467 12.432 1.00 0.00 C ATOM 1217 O LEU A 75 99.126 -0.844 13.559 1.00 0.00 O ATOM 1218 CB LEU A 75 96.299 -0.694 12.385 1.00 0.00 C ATOM 1219 CG LEU A 75 95.838 0.678 11.889 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.284 0.559 10.466 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.751 1.212 12.819 1.00 0.00 C ATOM 0 H LEU A 75 97.101 -3.062 12.165 1.00 0.00 H new ATOM 0 HA LEU A 75 97.591 -0.664 10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.536 -1.443 12.175 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.437 -0.674 13.466 1.00 0.00 H new ATOM 0 HG LEU A 75 96.685 1.364 11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.958 1.540 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.062 0.180 9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.437 -0.128 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.420 2.190 12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.906 0.523 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.150 1.305 13.829 1.00 0.00 H new ATOM 1233 N ALA A 76 99.425 0.511 11.771 1.00 0.00 N ATOM 1234 CA ALA A 76 100.561 1.240 12.329 1.00 0.00 C ATOM 1235 C ALA A 76 100.116 2.578 12.936 1.00 0.00 C ATOM 1236 O ALA A 76 100.561 2.970 14.014 1.00 0.00 O ATOM 1237 CB ALA A 76 101.620 1.455 11.249 1.00 0.00 C ATOM 0 H ALA A 76 99.154 0.818 10.837 1.00 0.00 H new ATOM 0 HA ALA A 76 100.995 0.645 13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.465 1.999 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.960 0.489 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.191 2.030 10.428 1.00 0.00 H new ATOM 1243 N TRP A 77 99.246 3.275 12.202 1.00 0.00 N ATOM 1244 CA TRP A 77 98.740 4.586 12.629 1.00 0.00 C ATOM 1245 C TRP A 77 97.547 5.007 11.763 1.00 0.00 C ATOM 1246 O TRP A 77 97.245 4.366 10.758 1.00 0.00 O ATOM 1247 CB TRP A 77 99.854 5.633 12.476 1.00 0.00 C ATOM 1248 CG TRP A 77 100.208 5.719 11.027 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.183 5.005 10.421 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.601 6.542 9.986 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.179 5.294 9.075 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.230 6.242 8.758 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.563 7.491 9.980 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.856 6.860 7.569 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.181 8.119 8.781 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.830 7.808 7.578 1.00 0.00 C ATOM 0 H TRP A 77 98.875 2.955 11.307 1.00 0.00 H new ATOM 0 HA TRP A 77 98.423 4.517 13.669 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.520 6.603 12.845 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.726 5.351 13.066 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.856 4.319 10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.803 4.859 8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.057 7.739 10.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.356 6.608 6.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.382 8.846 8.787 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.538 8.299 6.662 1.00 0.00 H new ATOM 1267 N ALA A 78 96.893 6.106 12.144 1.00 0.00 N ATOM 1268 CA ALA A 78 95.758 6.623 11.372 1.00 0.00 C ATOM 1269 C ALA A 78 95.653 8.134 11.546 1.00 0.00 C ATOM 1270 O ALA A 78 95.547 8.624 12.670 1.00 0.00 O ATOM 1271 CB ALA A 78 94.466 5.980 11.880 1.00 0.00 C ATOM 0 H ALA A 78 97.125 6.652 12.974 1.00 0.00 H new ATOM 0 HA ALA A 78 95.909 6.387 10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.620 6.362 11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.526 4.898 11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.330 6.221 12.934 1.00 0.00 H new ATOM 1277 N ARG A 79 95.676 8.878 10.438 1.00 0.00 N ATOM 1278 CA ARG A 79 95.576 10.332 10.533 1.00 0.00 C ATOM 1279 C ARG A 79 94.962 10.971 9.282 1.00 0.00 C ATOM 1280 O ARG A 79 95.386 10.690 8.161 1.00 0.00 O ATOM 1281 CB ARG A 79 96.967 10.920 10.793 1.00 0.00 C ATOM 1282 CG ARG A 79 96.845 12.335 11.365 1.00 0.00 C ATOM 1283 CD ARG A 79 98.221 12.818 11.829 1.00 0.00 C ATOM 1284 NE ARG A 79 98.131 14.189 12.316 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.205 14.836 12.756 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.368 14.244 12.762 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.095 16.065 13.182 1.00 0.00 N ATOM 0 H ARG A 79 95.761 8.509 9.491 1.00 0.00 H new ATOM 0 HA ARG A 79 94.905 10.559 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.514 10.284 11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.539 10.943 9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.446 13.011 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.145 12.342 12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.597 12.167 12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.932 12.762 11.005 1.00 0.00 H new ATOM 0 HE ARG A 79 97.227 14.661 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.453 13.284 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.192 14.742 13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.186 16.527 13.177 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.918 16.563 13.520 1.00 0.00 H new ATOM 1301 N ASP A 80 94.013 11.886 9.490 1.00 0.00 N ATOM 1302 CA ASP A 80 93.408 12.628 8.383 1.00 0.00 C ATOM 1303 C ASP A 80 92.778 11.743 7.312 1.00 0.00 C ATOM 1304 O ASP A 80 92.971 11.991 6.121 1.00 0.00 O ATOM 1305 CB ASP A 80 94.464 13.516 7.729 1.00 0.00 C ATOM 1306 CG ASP A 80 93.797 14.486 6.760 1.00 0.00 C ATOM 1307 OD1 ASP A 80 92.775 15.044 7.123 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.316 14.657 5.670 1.00 0.00 O ATOM 0 H ASP A 80 93.648 12.130 10.411 1.00 0.00 H new ATOM 0 HA ASP A 80 92.601 13.217 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.010 14.069 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.191 12.901 7.199 1.00 0.00 H new ATOM 1313 N GLY A 81 91.987 10.756 7.708 1.00 0.00 N ATOM 1314 CA GLY A 81 91.307 9.916 6.727 1.00 0.00 C ATOM 1315 C GLY A 81 92.173 8.776 6.209 1.00 0.00 C ATOM 1316 O GLY A 81 91.650 7.743 5.790 1.00 0.00 O ATOM 0 H GLY A 81 91.801 10.518 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.404 9.502 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.991 10.534 5.887 1.00 0.00 H new ATOM 1320 N LEU A 82 93.489 8.952 6.210 1.00 0.00 N ATOM 1321 CA LEU A 82 94.371 7.906 5.706 1.00 0.00 C ATOM 1322 C LEU A 82 94.758 6.950 6.829 1.00 0.00 C ATOM 1323 O LEU A 82 94.626 7.277 8.008 1.00 0.00 O ATOM 1324 CB LEU A 82 95.626 8.532 5.094 1.00 0.00 C ATOM 1325 CG LEU A 82 95.260 9.857 4.421 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.505 10.463 3.771 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.199 9.601 3.347 1.00 0.00 C ATOM 0 H LEU A 82 93.962 9.791 6.547 1.00 0.00 H new ATOM 0 HA LEU A 82 93.842 7.343 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.376 8.700 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.066 7.851 4.365 1.00 0.00 H new ATOM 0 HG LEU A 82 94.869 10.549 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.243 11.406 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.263 10.641 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.897 9.774 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.935 10.542 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.594 8.910 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.311 9.168 3.808 1.00 0.00 H new ATOM 1339 N LEU A 83 95.225 5.762 6.454 1.00 0.00 N ATOM 1340 CA LEU A 83 95.612 4.758 7.439 1.00 0.00 C ATOM 1341 C LEU A 83 96.952 4.135 7.092 1.00 0.00 C ATOM 1342 O LEU A 83 97.186 3.777 5.938 1.00 0.00 O ATOM 1343 CB LEU A 83 94.577 3.628 7.413 1.00 0.00 C ATOM 1344 CG LEU A 83 93.170 4.193 7.619 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.144 3.091 7.341 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.010 4.683 9.064 1.00 0.00 C ATOM 0 H LEU A 83 95.344 5.473 5.483 1.00 0.00 H new ATOM 0 HA LEU A 83 95.673 5.244 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.629 3.100 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.802 2.901 8.193 1.00 0.00 H new ATOM 0 HG LEU A 83 93.012 5.030 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.138 3.485 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.253 2.743 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.309 2.259 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.006 5.084 9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.167 3.851 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.744 5.463 9.267 1.00 0.00 H new ATOM 1358 N GLY A 84 97.828 3.982 8.075 1.00 0.00 N ATOM 1359 CA GLY A 84 99.121 3.374 7.822 1.00 0.00 C ATOM 1360 C GLY A 84 99.066 1.894 8.134 1.00 0.00 C ATOM 1361 O GLY A 84 98.272 1.452 8.965 1.00 0.00 O ATOM 0 H GLY A 84 97.668 4.267 9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.405 3.524 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.884 3.855 8.434 1.00 0.00 H new ATOM 1365 N PHE A 85 99.904 1.130 7.461 1.00 0.00 N ATOM 1366 CA PHE A 85 99.937 -0.303 7.668 1.00 0.00 C ATOM 1367 C PHE A 85 101.351 -0.827 7.525 1.00 0.00 C ATOM 1368 O PHE A 85 102.051 -0.481 6.576 1.00 0.00 O ATOM 1369 CB PHE A 85 99.042 -0.978 6.632 1.00 0.00 C ATOM 1370 CG PHE A 85 97.612 -0.947 7.099 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.161 -1.892 8.024 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.734 0.021 6.599 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.831 -1.869 8.453 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.404 0.045 7.029 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.954 -0.900 7.954 1.00 0.00 C ATOM 0 H PHE A 85 100.568 1.477 6.769 1.00 0.00 H new ATOM 0 HA PHE A 85 99.581 -0.524 8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.132 -0.469 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.362 -2.008 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.840 -2.640 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.083 0.749 5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.481 -2.598 9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.725 0.793 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.926 -0.883 8.285 1.00 0.00 H new ATOM 1385 N GLU A 86 101.775 -1.669 8.457 1.00 0.00 N ATOM 1386 CA GLU A 86 103.109 -2.236 8.395 1.00 0.00 C ATOM 1387 C GLU A 86 103.001 -3.679 7.915 1.00 0.00 C ATOM 1388 O GLU A 86 102.219 -4.463 8.454 1.00 0.00 O ATOM 1389 CB GLU A 86 103.763 -2.189 9.781 1.00 0.00 C ATOM 1390 CG GLU A 86 103.165 -3.276 10.679 1.00 0.00 C ATOM 1391 CD GLU A 86 103.544 -3.017 12.133 1.00 0.00 C ATOM 1392 OE1 GLU A 86 103.042 -2.057 12.693 1.00 0.00 O ATOM 1393 OE2 GLU A 86 104.331 -3.784 12.664 1.00 0.00 O ATOM 0 H GLU A 86 101.219 -1.971 9.257 1.00 0.00 H new ATOM 0 HA GLU A 86 103.726 -1.662 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.840 -2.333 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.610 -1.208 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 86 102.080 -3.290 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.528 -4.256 10.369 1.00 0.00 H new ATOM 1400 N CYS A 87 103.764 -4.024 6.886 1.00 0.00 N ATOM 1401 CA CYS A 87 103.710 -5.371 6.335 1.00 0.00 C ATOM 1402 C CYS A 87 104.262 -6.403 7.313 1.00 0.00 C ATOM 1403 O CYS A 87 105.425 -6.340 7.709 1.00 0.00 O ATOM 1404 CB CYS A 87 104.504 -5.429 5.027 1.00 0.00 C ATOM 1405 SG CYS A 87 103.816 -6.717 3.957 1.00 0.00 S ATOM 0 H CYS A 87 104.421 -3.397 6.421 1.00 0.00 H new ATOM 0 HA CYS A 87 102.664 -5.611 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.465 -4.464 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.553 -5.637 5.236 1.00 0.00 H new ATOM 0 HG CYS A 87 104.489 -6.764 2.846 1.00 0.00 H new ATOM 1411 N GLN A 88 103.413 -7.353 7.690 1.00 0.00 N ATOM 1412 CA GLN A 88 103.809 -8.407 8.618 1.00 0.00 C ATOM 1413 C GLN A 88 104.387 -9.592 7.846 1.00 0.00 C ATOM 1414 O GLN A 88 105.334 -10.239 8.295 1.00 0.00 O ATOM 1415 CB GLN A 88 102.588 -8.859 9.434 1.00 0.00 C ATOM 1416 CG GLN A 88 102.997 -9.142 10.881 1.00 0.00 C ATOM 1417 CD GLN A 88 103.302 -7.835 11.608 1.00 0.00 C ATOM 1418 OE1 GLN A 88 103.765 -7.852 12.747 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.066 -6.696 11.014 1.00 0.00 N ATOM 0 H GLN A 88 102.447 -7.415 7.368 1.00 0.00 H new ATOM 0 HA GLN A 88 104.572 -8.022 9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 88 101.819 -8.087 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 88 102.155 -9.755 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.197 -9.674 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 88 103.874 -9.790 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.682 -6.684 10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.266 -5.819 11.495 1.00 0.00 H new ATOM 1428 N HIS A 89 103.815 -9.861 6.675 1.00 0.00 N ATOM 1429 CA HIS A 89 104.283 -10.959 5.834 1.00 0.00 C ATOM 1430 C HIS A 89 103.689 -10.831 4.433 1.00 0.00 C ATOM 1431 O HIS A 89 102.585 -10.329 4.264 1.00 0.00 O ATOM 1432 CB HIS A 89 103.907 -12.312 6.465 1.00 0.00 C ATOM 1433 CG HIS A 89 102.730 -12.921 5.749 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.803 -13.341 4.430 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.449 -13.192 6.157 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.598 -13.835 4.094 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.735 -13.768 5.111 1.00 0.00 N ATOM 0 H HIS A 89 103.030 -9.336 6.288 1.00 0.00 H new ATOM 0 HA HIS A 89 105.369 -10.910 5.756 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.759 -12.990 6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.667 -12.174 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 89 101.054 -12.989 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.358 -14.237 3.121 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.762 -14.073 5.119 1.00 0.00 H new ATOM 1445 N ILE A 90 104.441 -11.267 3.434 1.00 0.00 N ATOM 1446 CA ILE A 90 103.995 -11.180 2.044 1.00 0.00 C ATOM 1447 C ILE A 90 104.493 -12.381 1.245 1.00 0.00 C ATOM 1448 O ILE A 90 105.605 -12.871 1.448 1.00 0.00 O ATOM 1449 CB ILE A 90 104.485 -9.868 1.427 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.110 -9.825 -0.059 1.00 0.00 C ATOM 1451 CG2 ILE A 90 106.003 -9.761 1.587 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.494 -8.464 -0.645 1.00 0.00 C ATOM 0 H ILE A 90 105.363 -11.685 3.556 1.00 0.00 H new ATOM 0 HA ILE A 90 102.905 -11.192 2.017 1.00 0.00 H new ATOM 0 HB ILE A 90 104.013 -9.029 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.623 -10.622 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.040 -9.996 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.350 -8.826 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.260 -9.781 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.482 -10.600 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.227 -8.434 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.961 -7.676 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.568 -8.312 -0.538 1.00 0.00 H new ATOM 1464 N ASP A 91 103.622 -12.870 0.356 1.00 0.00 N ATOM 1465 CA ASP A 91 103.926 -14.046 -0.463 1.00 0.00 C ATOM 1466 C ASP A 91 105.219 -13.876 -1.265 1.00 0.00 C ATOM 1467 O ASP A 91 105.521 -12.797 -1.771 1.00 0.00 O ATOM 1468 CB ASP A 91 102.757 -14.346 -1.418 1.00 0.00 C ATOM 1469 CG ASP A 91 101.576 -13.426 -1.117 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.138 -13.411 0.022 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.127 -12.753 -2.028 1.00 0.00 O ATOM 0 H ASP A 91 102.700 -12.468 0.186 1.00 0.00 H new ATOM 0 HA ASP A 91 104.069 -14.884 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 91 103.078 -14.210 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.451 -15.387 -1.314 1.00 0.00 H new ATOM 1476 N LEU A 92 105.973 -14.968 -1.362 1.00 0.00 N ATOM 1477 CA LEU A 92 107.237 -14.954 -2.097 1.00 0.00 C ATOM 1478 C LEU A 92 107.015 -14.453 -3.524 1.00 0.00 C ATOM 1479 O LEU A 92 107.803 -13.663 -4.042 1.00 0.00 O ATOM 1480 CB LEU A 92 107.841 -16.359 -2.135 1.00 0.00 C ATOM 1481 CG LEU A 92 109.312 -16.276 -2.567 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.203 -16.099 -1.335 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.708 -17.564 -3.295 1.00 0.00 C ATOM 0 H LEU A 92 105.734 -15.868 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 92 107.926 -14.281 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.766 -16.825 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.283 -16.987 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 92 109.440 -15.424 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.246 -16.041 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.927 -15.181 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.071 -16.949 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.752 -17.503 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.575 -18.415 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.079 -17.692 -4.176 1.00 0.00 H new ATOM 1495 N ASP A 93 105.938 -14.915 -4.148 1.00 0.00 N ATOM 1496 CA ASP A 93 105.622 -14.499 -5.509 1.00 0.00 C ATOM 1497 C ASP A 93 105.221 -13.028 -5.523 1.00 0.00 C ATOM 1498 O ASP A 93 105.646 -12.266 -6.390 1.00 0.00 O ATOM 1499 CB ASP A 93 104.484 -15.353 -6.071 1.00 0.00 C ATOM 1500 CG ASP A 93 104.994 -16.755 -6.389 1.00 0.00 C ATOM 1501 OD1 ASP A 93 105.625 -16.914 -7.421 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.747 -17.647 -5.596 1.00 0.00 O ATOM 0 H ASP A 93 105.274 -15.572 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 93 106.506 -14.635 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.669 -15.408 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.081 -14.890 -6.972 1.00 0.00 H new ATOM 1507 N SER A 94 104.408 -12.635 -4.545 1.00 0.00 N ATOM 1508 CA SER A 94 103.967 -11.248 -4.444 1.00 0.00 C ATOM 1509 C SER A 94 105.171 -10.332 -4.275 1.00 0.00 C ATOM 1510 O SER A 94 105.199 -9.218 -4.798 1.00 0.00 O ATOM 1511 CB SER A 94 103.022 -11.081 -3.251 1.00 0.00 C ATOM 1512 OG SER A 94 103.416 -11.966 -2.214 1.00 0.00 O ATOM 0 H SER A 94 104.045 -13.251 -3.818 1.00 0.00 H new ATOM 0 HA SER A 94 103.437 -10.981 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.046 -10.051 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 94 101.996 -11.290 -3.553 1.00 0.00 H new ATOM 0 HG SER A 94 104.392 -11.955 -2.128 1.00 0.00 H new ATOM 1518 N ILE A 95 106.167 -10.815 -3.539 1.00 0.00 N ATOM 1519 CA ILE A 95 107.376 -10.039 -3.303 1.00 0.00 C ATOM 1520 C ILE A 95 108.062 -9.722 -4.624 1.00 0.00 C ATOM 1521 O ILE A 95 108.608 -8.634 -4.804 1.00 0.00 O ATOM 1522 CB ILE A 95 108.337 -10.828 -2.402 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.846 -10.761 -0.954 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.744 -10.227 -2.483 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.688 -11.687 -0.068 1.00 0.00 C ATOM 0 H ILE A 95 106.160 -11.735 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 95 107.102 -9.106 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 95 108.368 -11.865 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.910 -9.737 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.797 -11.052 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.419 -10.793 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.100 -10.272 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.716 -9.188 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.330 -11.631 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.601 -12.712 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.732 -11.376 -0.106 1.00 0.00 H new ATOM 1537 N SER A 96 108.055 -10.686 -5.540 1.00 0.00 N ATOM 1538 CA SER A 96 108.708 -10.484 -6.825 1.00 0.00 C ATOM 1539 C SER A 96 107.936 -9.482 -7.674 1.00 0.00 C ATOM 1540 O SER A 96 108.534 -8.674 -8.383 1.00 0.00 O ATOM 1541 CB SER A 96 108.855 -11.810 -7.568 1.00 0.00 C ATOM 1542 OG SER A 96 110.181 -11.936 -8.066 1.00 0.00 O ATOM 0 H SER A 96 107.613 -11.597 -5.419 1.00 0.00 H new ATOM 0 HA SER A 96 109.703 -10.079 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.627 -12.640 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.141 -11.858 -8.390 1.00 0.00 H new ATOM 0 HG SER A 96 110.273 -12.788 -8.541 1.00 0.00 H new ATOM 1548 N HIS A 97 106.615 -9.525 -7.607 1.00 0.00 N ATOM 1549 CA HIS A 97 105.825 -8.590 -8.388 1.00 0.00 C ATOM 1550 C HIS A 97 106.046 -7.174 -7.859 1.00 0.00 C ATOM 1551 O HIS A 97 106.288 -6.246 -8.626 1.00 0.00 O ATOM 1552 CB HIS A 97 104.345 -8.962 -8.343 1.00 0.00 C ATOM 1553 CG HIS A 97 104.080 -10.121 -9.266 1.00 0.00 C ATOM 1554 ND1 HIS A 97 104.282 -10.036 -10.635 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.623 -11.394 -9.034 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.950 -11.225 -11.168 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.542 -12.089 -10.236 1.00 0.00 N ATOM 0 H HIS A 97 106.079 -10.179 -7.036 1.00 0.00 H new ATOM 0 HA HIS A 97 106.145 -8.635 -9.429 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.058 -9.224 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.737 -8.106 -8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.365 -11.795 -8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 97 104.007 -11.453 -12.222 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.236 -13.052 -10.375 1.00 0.00 H new ATOM 1565 N LEU A 98 106.007 -7.014 -6.544 1.00 0.00 N ATOM 1566 CA LEU A 98 106.253 -5.704 -5.953 1.00 0.00 C ATOM 1567 C LEU A 98 107.663 -5.246 -6.320 1.00 0.00 C ATOM 1568 O LEU A 98 107.892 -4.057 -6.536 1.00 0.00 O ATOM 1569 CB LEU A 98 106.071 -5.747 -4.427 1.00 0.00 C ATOM 1570 CG LEU A 98 105.696 -4.353 -3.886 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.807 -4.505 -2.650 1.00 0.00 C ATOM 1572 CD2 LEU A 98 106.966 -3.587 -3.496 1.00 0.00 C ATOM 0 H LEU A 98 105.811 -7.759 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 98 105.529 -4.991 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 98 105.293 -6.465 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 98 106.991 -6.091 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 98 105.162 -3.804 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 98 104.543 -3.519 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 98 103.899 -5.045 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 98 105.345 -5.059 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 98 106.695 -2.603 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 98 107.502 -4.140 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 98 107.605 -3.473 -4.371 1.00 0.00 H new ATOM 1584 N ARG A 99 108.598 -6.185 -6.429 1.00 0.00 N ATOM 1585 CA ARG A 99 109.958 -5.821 -6.813 1.00 0.00 C ATOM 1586 C ARG A 99 109.923 -5.088 -8.155 1.00 0.00 C ATOM 1587 O ARG A 99 110.663 -4.133 -8.374 1.00 0.00 O ATOM 1588 CB ARG A 99 110.842 -7.072 -6.914 1.00 0.00 C ATOM 1589 CG ARG A 99 111.612 -7.271 -5.601 1.00 0.00 C ATOM 1590 CD ARG A 99 112.047 -8.733 -5.468 1.00 0.00 C ATOM 1591 NE ARG A 99 113.202 -8.837 -4.581 1.00 0.00 N ATOM 1592 CZ ARG A 99 114.446 -8.786 -5.053 1.00 0.00 C ATOM 1593 NH1 ARG A 99 114.655 -8.645 -6.333 1.00 0.00 N ATOM 1594 NH2 ARG A 99 115.456 -8.876 -4.233 1.00 0.00 N ATOM 0 H ARG A 99 108.446 -7.180 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 99 110.382 -5.166 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.227 -7.947 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.541 -6.969 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.485 -6.619 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.984 -6.991 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.224 -9.331 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 99 112.296 -9.137 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 99 113.053 -8.951 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 99 113.865 -8.574 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 99 115.609 -8.606 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 99 115.292 -8.985 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 99 116.410 -8.837 -4.592 1.00 0.00 H new ATOM 1608 N ARG A 100 109.031 -5.528 -9.041 1.00 0.00 N ATOM 1609 CA ARG A 100 108.881 -4.889 -10.344 1.00 0.00 C ATOM 1610 C ARG A 100 108.591 -3.406 -10.162 1.00 0.00 C ATOM 1611 O ARG A 100 109.144 -2.558 -10.862 1.00 0.00 O ATOM 1612 CB ARG A 100 107.714 -5.523 -11.113 1.00 0.00 C ATOM 1613 CG ARG A 100 108.109 -6.927 -11.600 1.00 0.00 C ATOM 1614 CD ARG A 100 108.760 -6.838 -12.985 1.00 0.00 C ATOM 1615 NE ARG A 100 110.108 -6.281 -12.879 1.00 0.00 N ATOM 1616 CZ ARG A 100 110.582 -5.419 -13.776 1.00 0.00 C ATOM 1617 NH1 ARG A 100 109.847 -5.057 -14.794 1.00 0.00 N ATOM 1618 NH2 ARG A 100 111.787 -4.936 -13.639 1.00 0.00 N ATOM 0 H ARG A 100 108.406 -6.318 -8.881 1.00 0.00 H new ATOM 0 HA ARG A 100 109.807 -5.024 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 100 106.835 -5.585 -10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.444 -4.896 -11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 100 108.801 -7.385 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.228 -7.567 -11.644 1.00 0.00 H new ATOM 0 HD2 ARG A 100 108.803 -7.828 -13.438 1.00 0.00 H new ATOM 0 HD3 ARG A 100 108.152 -6.214 -13.640 1.00 0.00 H new ATOM 0 HE ARG A 100 110.701 -6.560 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 100 108.906 -5.435 -14.904 1.00 0.00 H new ATOM 0 HH12 ARG A 100 110.214 -4.396 -15.479 1.00 0.00 H new ATOM 0 HH21 ARG A 100 112.363 -5.219 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 100 112.153 -4.275 -14.325 1.00 0.00 H new ATOM 1632 N LEU A 101 107.706 -3.109 -9.216 1.00 0.00 N ATOM 1633 CA LEU A 101 107.327 -1.726 -8.943 1.00 0.00 C ATOM 1634 C LEU A 101 108.519 -0.923 -8.427 1.00 0.00 C ATOM 1635 O LEU A 101 108.685 0.242 -8.782 1.00 0.00 O ATOM 1636 CB LEU A 101 106.189 -1.673 -7.917 1.00 0.00 C ATOM 1637 CG LEU A 101 104.856 -2.061 -8.574 1.00 0.00 C ATOM 1638 CD1 LEU A 101 104.508 -1.066 -9.689 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.961 -3.476 -9.155 1.00 0.00 C ATOM 0 H LEU A 101 107.240 -3.801 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 101 106.987 -1.284 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.405 -2.350 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.116 -0.670 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 101 104.068 -2.037 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 101 103.561 -1.350 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 101 104.421 -0.064 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.294 -1.076 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 101 104.014 -3.749 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 101 105.754 -3.505 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 101 105.189 -4.181 -8.356 1.00 0.00 H new ATOM 1651 N VAL A 102 109.342 -1.538 -7.584 1.00 0.00 N ATOM 1652 CA VAL A 102 110.502 -0.839 -7.038 1.00 0.00 C ATOM 1653 C VAL A 102 111.533 -0.568 -8.134 1.00 0.00 C ATOM 1654 O VAL A 102 112.060 0.538 -8.244 1.00 0.00 O ATOM 1655 CB VAL A 102 111.121 -1.656 -5.880 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.380 -2.400 -6.338 1.00 0.00 C ATOM 1657 CG2 VAL A 102 111.493 -0.717 -4.726 1.00 0.00 C ATOM 0 H VAL A 102 109.232 -2.501 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 102 110.177 0.123 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 102 110.381 -2.386 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.793 -2.965 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.124 -3.084 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 102 113.120 -1.681 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 102 111.929 -1.296 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 102 112.216 0.020 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 102 110.598 -0.206 -4.370 1.00 0.00 H new ATOM 1667 N GLU A 103 111.821 -1.585 -8.938 1.00 0.00 N ATOM 1668 CA GLU A 103 112.796 -1.448 -10.016 1.00 0.00 C ATOM 1669 C GLU A 103 112.315 -0.476 -11.094 1.00 0.00 C ATOM 1670 O GLU A 103 113.090 0.341 -11.589 1.00 0.00 O ATOM 1671 CB GLU A 103 113.071 -2.814 -10.653 1.00 0.00 C ATOM 1672 CG GLU A 103 113.710 -3.746 -9.619 1.00 0.00 C ATOM 1673 CD GLU A 103 114.473 -4.865 -10.323 1.00 0.00 C ATOM 1674 OE1 GLU A 103 114.143 -5.155 -11.461 1.00 0.00 O ATOM 1675 OE2 GLU A 103 115.376 -5.414 -9.712 1.00 0.00 O ATOM 0 H GLU A 103 111.396 -2.510 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 103 113.712 -1.049 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 103 112.142 -3.248 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 103 113.733 -2.699 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.387 -3.181 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 103 112.940 -4.170 -8.975 1.00 0.00 H new ATOM 1682 N LEU A 104 111.044 -0.586 -11.475 1.00 0.00 N ATOM 1683 CA LEU A 104 110.497 0.275 -12.523 1.00 0.00 C ATOM 1684 C LEU A 104 110.399 1.733 -12.073 1.00 0.00 C ATOM 1685 O LEU A 104 110.686 2.644 -12.849 1.00 0.00 O ATOM 1686 CB LEU A 104 109.108 -0.225 -12.947 1.00 0.00 C ATOM 1687 CG LEU A 104 109.246 -1.407 -13.920 1.00 0.00 C ATOM 1688 CD1 LEU A 104 108.008 -2.304 -13.818 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.369 -0.881 -15.354 1.00 0.00 C ATOM 0 H LEU A 104 110.381 -1.253 -11.081 1.00 0.00 H new ATOM 0 HA LEU A 104 111.182 0.230 -13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.540 -0.531 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.551 0.583 -13.421 1.00 0.00 H new ATOM 0 HG LEU A 104 110.136 -1.981 -13.663 1.00 0.00 H new ATOM 0 HD11 LEU A 104 108.108 -3.141 -14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.916 -2.682 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 104 107.119 -1.727 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.467 -1.720 -16.042 1.00 0.00 H new ATOM 0 HD22 LEU A 104 108.479 -0.305 -15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.249 -0.243 -15.433 1.00 0.00 H new ATOM 1701 N ASN A 105 109.987 1.956 -10.830 1.00 0.00 N ATOM 1702 CA ASN A 105 109.857 3.321 -10.327 1.00 0.00 C ATOM 1703 C ASN A 105 111.230 3.929 -10.052 1.00 0.00 C ATOM 1704 O ASN A 105 111.401 5.147 -10.102 1.00 0.00 O ATOM 1705 CB ASN A 105 108.998 3.343 -9.055 1.00 0.00 C ATOM 1706 CG ASN A 105 109.877 3.320 -7.808 1.00 0.00 C ATOM 1707 OD1 ASN A 105 109.910 4.292 -7.053 1.00 0.00 O ATOM 1708 ND2 ASN A 105 110.597 2.265 -7.545 1.00 0.00 N ATOM 0 H ASN A 105 109.741 1.225 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 105 109.364 3.921 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 105 108.373 4.236 -9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 105 108.327 2.484 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 105 111.188 2.245 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 105 110.569 1.460 -8.171 1.00 0.00 H new ATOM 1715 N LEU A 106 112.206 3.075 -9.766 1.00 0.00 N ATOM 1716 CA LEU A 106 113.559 3.548 -9.491 1.00 0.00 C ATOM 1717 C LEU A 106 114.174 4.144 -10.754 1.00 0.00 C ATOM 1718 O LEU A 106 114.819 5.191 -10.708 1.00 0.00 O ATOM 1719 CB LEU A 106 114.428 2.386 -8.982 1.00 0.00 C ATOM 1720 CG LEU A 106 114.568 2.459 -7.455 1.00 0.00 C ATOM 1721 CD1 LEU A 106 114.943 1.080 -6.909 1.00 0.00 C ATOM 1722 CD2 LEU A 106 115.668 3.461 -7.089 1.00 0.00 C ATOM 0 H LEU A 106 112.089 2.063 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 106 113.513 4.320 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.980 1.434 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 106 115.413 2.428 -9.447 1.00 0.00 H new ATOM 0 HG LEU A 106 113.621 2.780 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 106 115.042 1.133 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.165 0.362 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 106 115.890 0.761 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 106 115.767 3.513 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.614 3.139 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 106 115.407 4.446 -7.477 1.00 0.00 H new ATOM 1734 N GLY A 107 113.967 3.470 -11.881 1.00 0.00 N ATOM 1735 CA GLY A 107 114.503 3.938 -13.155 1.00 0.00 C ATOM 1736 C GLY A 107 114.777 2.766 -14.092 1.00 0.00 C ATOM 1737 O GLY A 107 113.955 2.438 -14.948 1.00 0.00 O ATOM 0 H GLY A 107 113.435 2.602 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 107 113.796 4.625 -13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 107 115.424 4.496 -12.984 1.00 0.00 H new ATOM 1741 N ASP A 108 115.936 2.137 -13.921 1.00 0.00 N ATOM 1742 CA ASP A 108 116.312 0.999 -14.755 1.00 0.00 C ATOM 1743 C ASP A 108 117.564 0.323 -14.204 1.00 0.00 C ATOM 1744 O ASP A 108 118.602 0.964 -14.032 1.00 0.00 O ATOM 1745 CB ASP A 108 116.567 1.463 -16.190 1.00 0.00 C ATOM 1746 CG ASP A 108 116.706 0.257 -17.111 1.00 0.00 C ATOM 1747 OD1 ASP A 108 115.867 -0.624 -17.033 1.00 0.00 O ATOM 1748 OD2 ASP A 108 117.651 0.231 -17.883 1.00 0.00 O ATOM 0 H ASP A 108 116.628 2.394 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 108 115.492 0.281 -14.748 1.00 0.00 H new ATOM 0 HB2 ASP A 108 115.746 2.096 -16.527 1.00 0.00 H new ATOM 0 HB3 ASP A 108 117.473 2.068 -16.230 1.00 0.00 H new ATOM 1753 N GLU A 109 117.457 -0.971 -13.923 1.00 0.00 N ATOM 1754 CA GLU A 109 118.586 -1.721 -13.385 1.00 0.00 C ATOM 1755 C GLU A 109 118.929 -1.217 -11.987 1.00 0.00 C ATOM 1756 O GLU A 109 119.916 -1.641 -11.385 1.00 0.00 O ATOM 1757 CB GLU A 109 119.803 -1.575 -14.305 1.00 0.00 C ATOM 1758 CG GLU A 109 120.739 -2.772 -14.121 1.00 0.00 C ATOM 1759 CD GLU A 109 120.131 -4.015 -14.762 1.00 0.00 C ATOM 1760 OE1 GLU A 109 119.821 -3.958 -15.940 1.00 0.00 O ATOM 1761 OE2 GLU A 109 119.986 -5.006 -14.065 1.00 0.00 O ATOM 0 H GLU A 109 116.607 -1.519 -14.057 1.00 0.00 H new ATOM 0 HA GLU A 109 118.312 -2.774 -13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 109 119.479 -1.511 -15.344 1.00 0.00 H new ATOM 0 HB3 GLU A 109 120.332 -0.650 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 109 121.708 -2.558 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 109 120.912 -2.948 -13.059 1.00 0.00 H new ATOM 1768 N GLU A 110 118.099 -0.309 -11.479 1.00 0.00 N ATOM 1769 CA GLU A 110 118.303 0.257 -10.150 1.00 0.00 C ATOM 1770 C GLU A 110 119.673 0.916 -10.039 1.00 0.00 C ATOM 1771 O GLU A 110 119.784 2.141 -10.025 1.00 0.00 O ATOM 1772 CB GLU A 110 118.175 -0.838 -9.088 1.00 0.00 C ATOM 1773 CG GLU A 110 118.530 -0.264 -7.712 1.00 0.00 C ATOM 1774 CD GLU A 110 118.040 -1.201 -6.614 1.00 0.00 C ATOM 1775 OE1 GLU A 110 116.899 -1.625 -6.691 1.00 0.00 O ATOM 1776 OE2 GLU A 110 118.812 -1.481 -5.712 1.00 0.00 O ATOM 0 H GLU A 110 117.279 0.050 -11.968 1.00 0.00 H new ATOM 0 HA GLU A 110 117.539 1.017 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 110 117.159 -1.232 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 110 118.837 -1.670 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 110 119.609 -0.130 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 110 118.076 0.720 -7.591 1.00 0.00 H new ATOM 1783 N LEU A 111 120.714 0.096 -9.948 1.00 0.00 N ATOM 1784 CA LEU A 111 122.068 0.617 -9.824 1.00 0.00 C ATOM 1785 C LEU A 111 122.219 1.340 -8.489 1.00 0.00 C ATOM 1786 O LEU A 111 121.580 2.365 -8.254 1.00 0.00 O ATOM 1787 CB LEU A 111 122.366 1.582 -10.982 1.00 0.00 C ATOM 1788 CG LEU A 111 123.829 1.434 -11.422 1.00 0.00 C ATOM 1789 CD1 LEU A 111 123.964 0.247 -12.381 1.00 0.00 C ATOM 1790 CD2 LEU A 111 124.279 2.713 -12.134 1.00 0.00 C ATOM 0 H LEU A 111 120.647 -0.922 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 111 122.776 -0.210 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 111 121.702 1.373 -11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.173 2.608 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 111 124.452 1.263 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 111 125.004 0.146 -12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 111 123.645 -0.666 -11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 111 123.339 0.415 -13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 111 125.318 2.609 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 111 123.652 2.882 -13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 111 124.188 3.560 -11.453 1.00 0.00 H new ATOM 1802 N LEU A 112 123.056 0.792 -7.615 1.00 0.00 N ATOM 1803 CA LEU A 112 123.273 1.388 -6.301 1.00 0.00 C ATOM 1804 C LEU A 112 121.960 1.444 -5.524 1.00 0.00 C ATOM 1805 O LEU A 112 120.946 1.925 -6.030 1.00 0.00 O ATOM 1806 CB LEU A 112 123.851 2.803 -6.443 1.00 0.00 C ATOM 1807 CG LEU A 112 125.359 2.732 -6.700 1.00 0.00 C ATOM 1808 CD1 LEU A 112 125.618 2.221 -8.119 1.00 0.00 C ATOM 1809 CD2 LEU A 112 125.959 4.130 -6.548 1.00 0.00 C ATOM 0 H LEU A 112 123.592 -0.058 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 112 123.985 0.769 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 112 123.359 3.325 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 112 123.655 3.377 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 112 125.818 2.051 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 112 126.692 2.172 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 112 125.186 1.227 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 112 125.161 2.900 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 112 127.033 4.087 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 112 125.496 4.805 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 112 125.776 4.496 -5.538 1.00 0.00 H new ATOM 1821 N GLU A 113 121.985 0.945 -4.293 1.00 0.00 N ATOM 1822 CA GLU A 113 120.789 0.942 -3.457 1.00 0.00 C ATOM 1823 C GLU A 113 120.052 2.273 -3.561 1.00 0.00 C ATOM 1824 O GLU A 113 118.849 2.309 -3.816 1.00 0.00 O ATOM 1825 CB GLU A 113 121.170 0.682 -1.999 1.00 0.00 C ATOM 1826 CG GLU A 113 122.118 -0.517 -1.923 1.00 0.00 C ATOM 1827 CD GLU A 113 122.269 -0.972 -0.476 1.00 0.00 C ATOM 1828 OE1 GLU A 113 121.267 -1.006 0.220 1.00 0.00 O ATOM 1829 OE2 GLU A 113 123.384 -1.277 -0.083 1.00 0.00 O ATOM 0 H GLU A 113 122.812 0.541 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 113 120.130 0.148 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 113 121.649 1.565 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 113 120.275 0.489 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.732 -1.335 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 113 123.092 -0.247 -2.332 1.00 0.00 H new ATOM 1836 N ARG A 114 120.782 3.365 -3.357 1.00 0.00 N ATOM 1837 CA ARG A 114 120.183 4.693 -3.426 1.00 0.00 C ATOM 1838 C ARG A 114 119.130 4.855 -2.331 1.00 0.00 C ATOM 1839 O ARG A 114 118.792 3.897 -1.638 1.00 0.00 O ATOM 1840 CB ARG A 114 119.539 4.907 -4.804 1.00 0.00 C ATOM 1841 CG ARG A 114 119.610 6.391 -5.195 1.00 0.00 C ATOM 1842 CD ARG A 114 118.441 6.737 -6.120 1.00 0.00 C ATOM 1843 NE ARG A 114 118.491 5.917 -7.326 1.00 0.00 N ATOM 1844 CZ ARG A 114 119.075 6.353 -8.441 1.00 0.00 C ATOM 1845 NH1 ARG A 114 119.620 7.539 -8.476 1.00 0.00 N ATOM 1846 NH2 ARG A 114 119.104 5.593 -9.500 1.00 0.00 N ATOM 0 H ARG A 114 121.780 3.358 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 114 120.965 5.438 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 114 120.051 4.301 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 114 118.500 4.577 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 114 119.576 7.014 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 114 120.556 6.601 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 114 117.497 6.575 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 114 118.480 7.793 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 114 118.069 4.988 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 114 119.599 8.134 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 114 120.066 7.870 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 114 118.680 4.666 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 114 119.551 5.926 -10.354 1.00 0.00 H new ATOM 1860 N GLU A 115 118.619 6.074 -2.183 1.00 0.00 N ATOM 1861 CA GLU A 115 117.606 6.350 -1.170 1.00 0.00 C ATOM 1862 C GLU A 115 118.110 5.962 0.218 1.00 0.00 C ATOM 1863 O GLU A 115 118.741 6.762 0.908 1.00 0.00 O ATOM 1864 CB GLU A 115 116.328 5.571 -1.490 1.00 0.00 C ATOM 1865 CG GLU A 115 115.771 6.030 -2.844 1.00 0.00 C ATOM 1866 CD GLU A 115 115.019 4.887 -3.520 1.00 0.00 C ATOM 1867 OE1 GLU A 115 115.554 3.792 -3.554 1.00 0.00 O ATOM 1868 OE2 GLU A 115 113.921 5.124 -3.994 1.00 0.00 O ATOM 0 H GLU A 115 118.887 6.880 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 115 117.393 7.419 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 115 116.539 4.502 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 115 115.587 5.731 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 115 115.104 6.880 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 115 116.585 6.368 -3.485 1.00 0.00 H new ATOM 1875 N LEU A 116 117.821 4.730 0.617 1.00 0.00 N ATOM 1876 CA LEU A 116 118.238 4.231 1.925 1.00 0.00 C ATOM 1877 C LEU A 116 119.742 4.384 2.130 1.00 0.00 C ATOM 1878 O LEU A 116 120.192 4.658 3.242 1.00 0.00 O ATOM 1879 CB LEU A 116 117.850 2.758 2.075 1.00 0.00 C ATOM 1880 CG LEU A 116 116.340 2.588 1.852 1.00 0.00 C ATOM 1881 CD1 LEU A 116 116.062 1.200 1.270 1.00 0.00 C ATOM 1882 CD2 LEU A 116 115.604 2.737 3.187 1.00 0.00 C ATOM 0 H LEU A 116 117.300 4.057 0.055 1.00 0.00 H new ATOM 0 HA LEU A 116 117.727 4.826 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 116 118.403 2.153 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 116 118.122 2.401 3.068 1.00 0.00 H new ATOM 0 HG LEU A 116 115.989 3.351 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 116 114.990 1.080 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 116 116.583 1.093 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 116 116.414 0.437 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 116 114.533 2.616 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 116 115.955 1.975 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 116 115.800 3.726 3.602 1.00 0.00 H new ATOM 1894 N ALA A 117 120.521 4.214 1.068 1.00 0.00 N ATOM 1895 CA ALA A 117 121.967 4.351 1.199 1.00 0.00 C ATOM 1896 C ALA A 117 122.327 5.811 1.477 1.00 0.00 C ATOM 1897 O ALA A 117 123.298 6.107 2.173 1.00 0.00 O ATOM 1898 CB ALA A 117 122.679 3.851 -0.062 1.00 0.00 C ATOM 0 H ALA A 117 120.188 3.987 0.131 1.00 0.00 H new ATOM 0 HA ALA A 117 122.301 3.739 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 117 123.756 3.963 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 117 122.440 2.800 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 117 122.348 4.434 -0.922 1.00 0.00 H new ATOM 1904 N LEU A 118 121.565 6.716 0.864 1.00 0.00 N ATOM 1905 CA LEU A 118 121.845 8.146 0.989 1.00 0.00 C ATOM 1906 C LEU A 118 121.919 8.565 2.454 1.00 0.00 C ATOM 1907 O LEU A 118 122.875 9.230 2.855 1.00 0.00 O ATOM 1908 CB LEU A 118 120.746 8.963 0.296 1.00 0.00 C ATOM 1909 CG LEU A 118 120.412 8.350 -1.066 1.00 0.00 C ATOM 1910 CD1 LEU A 118 119.288 9.155 -1.729 1.00 0.00 C ATOM 1911 CD2 LEU A 118 121.656 8.381 -1.956 1.00 0.00 C ATOM 0 H LEU A 118 120.758 6.489 0.283 1.00 0.00 H new ATOM 0 HA LEU A 118 122.808 8.337 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 118 119.853 8.988 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 118 121.075 9.994 0.168 1.00 0.00 H new ATOM 0 HG LEU A 118 120.087 7.319 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 118 119.051 8.718 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 118 118.402 9.133 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 118 119.611 10.187 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 118 121.420 7.945 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 118 121.981 9.413 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 118 122.455 7.808 -1.485 1.00 0.00 H new ATOM 1923 N LEU A 119 120.933 8.189 3.259 1.00 0.00 N ATOM 1924 CA LEU A 119 120.953 8.559 4.671 1.00 0.00 C ATOM 1925 C LEU A 119 122.117 7.868 5.385 1.00 0.00 C ATOM 1926 O LEU A 119 122.841 8.487 6.167 1.00 0.00 O ATOM 1927 CB LEU A 119 119.623 8.167 5.330 1.00 0.00 C ATOM 1928 CG LEU A 119 118.669 9.372 5.322 1.00 0.00 C ATOM 1929 CD1 LEU A 119 117.223 8.889 5.467 1.00 0.00 C ATOM 1930 CD2 LEU A 119 119.017 10.312 6.488 1.00 0.00 C ATOM 0 H LEU A 119 120.125 7.639 2.968 1.00 0.00 H new ATOM 0 HA LEU A 119 121.087 9.638 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 119 119.173 7.331 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 119 119.797 7.835 6.353 1.00 0.00 H new ATOM 0 HG LEU A 119 118.776 9.908 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 119 116.551 9.747 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 119 116.975 8.228 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 119 117.113 8.348 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 119 118.340 11.166 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 119 118.915 9.775 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 119 120.044 10.662 6.379 1.00 0.00 H new ATOM 1942 N VAL A 120 122.242 6.568 5.154 1.00 0.00 N ATOM 1943 CA VAL A 120 123.272 5.781 5.832 1.00 0.00 C ATOM 1944 C VAL A 120 124.673 6.344 5.577 1.00 0.00 C ATOM 1945 O VAL A 120 125.445 6.502 6.523 1.00 0.00 O ATOM 1946 CB VAL A 120 123.215 4.327 5.357 1.00 0.00 C ATOM 1947 CG1 VAL A 120 124.396 3.547 5.941 1.00 0.00 C ATOM 1948 CG2 VAL A 120 121.907 3.689 5.829 1.00 0.00 C ATOM 0 H VAL A 120 121.653 6.038 4.511 1.00 0.00 H new ATOM 0 HA VAL A 120 123.074 5.831 6.903 1.00 0.00 H new ATOM 0 HB VAL A 120 123.265 4.301 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 120 124.352 2.512 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 120 125.331 3.999 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 120 124.347 3.574 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 120 121.865 2.653 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 120 121.860 3.718 6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 120 121.063 4.240 5.415 1.00 0.00 H new ATOM 1958 N SER A 121 125.019 6.649 4.331 1.00 0.00 N ATOM 1959 CA SER A 121 126.354 7.189 4.064 1.00 0.00 C ATOM 1960 C SER A 121 126.470 8.610 4.609 1.00 0.00 C ATOM 1961 O SER A 121 127.490 8.988 5.185 1.00 0.00 O ATOM 1962 CB SER A 121 126.623 7.193 2.561 1.00 0.00 C ATOM 1963 OG SER A 121 126.685 5.853 2.093 1.00 0.00 O ATOM 0 H SER A 121 124.420 6.538 3.513 1.00 0.00 H new ATOM 0 HA SER A 121 127.091 6.558 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 121 125.835 7.736 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 121 127.560 7.709 2.349 1.00 0.00 H new ATOM 0 HG SER A 121 126.856 5.851 1.128 1.00 0.00 H new ATOM 1969 N ALA A 122 125.411 9.390 4.422 1.00 0.00 N ATOM 1970 CA ALA A 122 125.395 10.771 4.901 1.00 0.00 C ATOM 1971 C ALA A 122 123.976 11.172 5.274 1.00 0.00 C ATOM 1972 O ALA A 122 123.029 10.564 4.784 1.00 0.00 O ATOM 1973 CB ALA A 122 125.904 11.699 3.795 1.00 0.00 C ATOM 0 H ALA A 122 124.558 9.095 3.947 1.00 0.00 H new ATOM 0 HA ALA A 122 126.037 10.853 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 122 125.893 12.729 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 122 126.922 11.419 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 122 125.260 11.610 2.920 1.00 0.00 H new ATOM 1979 N HIS A 123 123.799 12.200 6.098 1.00 0.00 N ATOM 1980 CA HIS A 123 122.449 12.627 6.438 1.00 0.00 C ATOM 1981 C HIS A 123 121.737 13.114 5.175 1.00 0.00 C ATOM 1982 O HIS A 123 120.821 12.459 4.678 1.00 0.00 O ATOM 1983 CB HIS A 123 122.494 13.745 7.488 1.00 0.00 C ATOM 1984 CG HIS A 123 123.226 14.941 6.943 1.00 0.00 C ATOM 1985 ND1 HIS A 123 122.696 16.220 7.008 1.00 0.00 N ATOM 1986 CD2 HIS A 123 124.444 15.072 6.322 1.00 0.00 C ATOM 1987 CE1 HIS A 123 123.583 17.056 6.440 1.00 0.00 C ATOM 1988 NE2 HIS A 123 124.666 16.408 6.005 1.00 0.00 N ATOM 0 H HIS A 123 124.549 12.738 6.531 1.00 0.00 H new ATOM 0 HA HIS A 123 121.900 11.784 6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 123 121.480 14.028 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 123 122.989 13.387 8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 123 125.126 14.261 6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 123 123.437 18.122 6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 123 125.481 16.807 5.540 1.00 0.00 H new ATOM 1996 N ASP A 124 122.174 14.256 4.652 1.00 0.00 N ATOM 1997 CA ASP A 124 121.584 14.810 3.440 1.00 0.00 C ATOM 1998 C ASP A 124 120.141 15.245 3.677 1.00 0.00 C ATOM 1999 O ASP A 124 119.230 14.790 2.985 1.00 0.00 O ATOM 2000 CB ASP A 124 121.624 13.763 2.322 1.00 0.00 C ATOM 2001 CG ASP A 124 122.909 12.945 2.418 1.00 0.00 C ATOM 2002 OD1 ASP A 124 123.957 13.488 2.109 1.00 0.00 O ATOM 2003 OD2 ASP A 124 122.824 11.790 2.798 1.00 0.00 O ATOM 0 H ASP A 124 122.932 14.813 5.047 1.00 0.00 H new ATOM 0 HA ASP A 124 122.164 15.686 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 124 120.758 13.105 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 124 121.568 14.254 1.351 1.00 0.00 H new ATOM 2008 N ASP A 125 119.934 16.133 4.645 1.00 0.00 N ATOM 2009 CA ASP A 125 118.591 16.616 4.942 1.00 0.00 C ATOM 2010 C ASP A 125 117.875 17.030 3.661 1.00 0.00 C ATOM 2011 O ASP A 125 118.547 17.185 2.654 1.00 0.00 O ATOM 2012 CB ASP A 125 118.666 17.813 5.892 1.00 0.00 C ATOM 2013 CG ASP A 125 119.716 18.804 5.399 1.00 0.00 C ATOM 2014 OD1 ASP A 125 119.496 19.404 4.360 1.00 0.00 O ATOM 2015 OD2 ASP A 125 120.727 18.947 6.068 1.00 0.00 O ATOM 2016 OXT ASP A 125 116.666 17.188 3.704 1.00 0.00 O ATOM 0 H ASP A 125 120.670 16.528 5.230 1.00 0.00 H new ATOM 0 HA ASP A 125 118.032 15.809 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 125 117.693 18.301 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 125 118.917 17.475 6.897 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.003 4.050 12.463 1.00 0.00 P HETATM 2023 O2P C2E A 501 104.873 3.284 13.722 1.00 0.00 O HETATM 2024 O1P C2E A 501 103.826 4.745 11.900 1.00 0.00 O HETATM 2025 O5' C2E A 501 105.600 3.063 11.334 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.569 1.639 11.515 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.217 0.904 10.336 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.198 0.346 9.491 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.073 1.803 9.452 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.439 1.739 9.871 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.907 1.176 8.081 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.797 0.069 7.895 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.458 0.726 8.131 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.496 1.788 7.777 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.693 2.528 8.597 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.959 3.416 7.997 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.301 3.258 6.655 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.830 3.951 5.509 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.014 4.866 5.457 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.430 3.484 4.348 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.370 2.476 4.291 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.836 2.171 3.081 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.817 1.823 5.368 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.242 2.263 6.511 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.462 2.927 9.526 1.00 0.00 P HETATM 2046 O21 C2E A 501 110.835 2.466 9.834 1.00 0.00 O HETATM 2047 O11 C2E A 501 109.138 3.441 8.177 1.00 0.00 O HETATM 2048 O5A C2E A 501 109.054 4.047 10.602 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.409 5.243 10.171 1.00 0.00 C HETATM 2050 C4A C2E A 501 107.966 6.102 11.352 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.355 7.465 11.136 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.461 6.104 11.632 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.173 5.141 12.655 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.229 7.507 12.162 1.00 0.00 C HETATM 2055 O2A C2E A 501 106.517 7.597 13.563 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.216 8.311 11.334 1.00 0.00 C HETATM 2057 N91 C2E A 501 106.724 8.687 9.992 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.010 8.114 8.784 1.00 0.00 C HETATM 2059 N71 C2E A 501 106.431 8.663 7.761 1.00 0.00 N HETATM 2060 C51 C2E A 501 105.690 9.695 8.328 1.00 0.00 C HETATM 2061 C61 C2E A 501 104.845 10.649 7.705 1.00 0.00 C HETATM 2062 O61 C2E A 501 104.575 10.766 6.513 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.289 11.517 8.632 1.00 0.00 N HETATM 2064 C21 C2E A 501 104.513 11.474 9.993 1.00 0.00 C HETATM 2065 N21 C2E A 501 103.884 12.395 10.723 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.308 10.575 10.585 1.00 0.00 N HETATM 2067 C41 C2E A 501 105.862 9.720 9.695 1.00 0.00 C HETATM 0 HO2A C2E A 501 106.567 6.696 13.945 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.504 0.100 8.573 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.278 13.079 10.269 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.009 12.416 11.735 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.533 1.434 2.974 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.496 2.674 2.262 1.00 0.00 H new HETATM 0 HN11 C2E A 501 103.666 12.244 8.281 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.088 5.815 9.539 1.00 0.00 H new HETATM 0 H511 C2E A 501 107.543 4.989 9.560 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 106.089 1.378 12.437 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 104.536 1.309 11.627 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.154 3.920 3.468 1.00 0.00 H new HETATM 0 H81 C2E A 501 107.677 7.257 8.687 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.670 2.384 9.677 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.456 5.650 12.214 1.00 0.00 H new HETATM 0 H4' C2E A 501 106.855 0.142 10.783 1.00 0.00 H new HETATM 0 H3A C2E A 501 105.843 5.857 10.769 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.788 2.855 9.483 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.197 7.848 12.077 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.136 1.848 7.254 1.00 0.00 H new HETATM 0 H1A C2E A 501 107.417 9.238 11.871 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.328 -0.079 7.408 1.00 0.00 H new HETATM 2090 P1 C2E A 502 100.654 13.756 2.979 1.00 0.00 P HETATM 2091 O2P C2E A 502 99.976 14.731 3.862 1.00 0.00 O HETATM 2092 O1P C2E A 502 99.950 13.225 1.790 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.127 12.505 3.882 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.168 11.560 4.382 1.00 0.00 C HETATM 2095 C4' C2E A 502 99.938 11.733 5.885 1.00 0.00 C HETATM 2096 O4' C2E A 502 99.670 10.458 6.493 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.130 12.314 6.627 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.071 13.745 6.592 1.00 0.00 O HETATM 2099 C2' C2E A 502 100.892 11.794 8.030 1.00 0.00 C HETATM 2100 O2' C2E A 502 99.927 12.598 8.722 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.348 10.399 7.757 1.00 0.00 C HETATM 2102 N9 C2E A 502 101.384 9.345 7.670 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.021 8.834 6.571 1.00 0.00 C HETATM 2104 N7 C2E A 502 102.878 7.891 6.820 1.00 0.00 N HETATM 2105 C5 C2E A 502 102.810 7.750 8.202 1.00 0.00 C HETATM 2106 C6 C2E A 502 103.517 6.865 9.059 1.00 0.00 C HETATM 2107 O6 C2E A 502 104.356 6.020 8.759 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.151 7.044 10.386 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.225 7.959 10.837 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.005 7.974 12.151 1.00 0.00 N HETATM 2111 N3 C2E A 502 101.558 8.795 10.033 1.00 0.00 N HETATM 2112 C4 C2E A 502 101.899 8.636 8.732 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.164 14.649 7.356 1.00 0.00 P HETATM 2114 O21 C2E A 502 101.513 15.913 7.768 1.00 0.00 O HETATM 2115 O11 C2E A 502 102.843 13.811 8.365 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.215 14.986 6.184 1.00 0.00 O HETATM 2117 C5A C2E A 502 102.919 16.002 5.221 1.00 0.00 C HETATM 2118 C4A C2E A 502 103.558 15.703 3.867 1.00 0.00 C HETATM 2119 O4A C2E A 502 104.984 15.761 3.978 1.00 0.00 O HETATM 2120 C3A C2E A 502 103.222 14.327 3.307 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.048 14.403 2.488 1.00 0.00 O HETATM 2122 C2A C2E A 502 104.433 14.011 2.447 1.00 0.00 C HETATM 2123 O2A C2E A 502 104.285 14.531 1.120 1.00 0.00 O HETATM 2124 C1A C2E A 502 105.559 14.708 3.196 1.00 0.00 C HETATM 2125 N91 C2E A 502 106.296 13.820 4.104 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.329 13.797 5.468 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.158 12.936 5.980 1.00 0.00 N HETATM 2128 C51 C2E A 502 107.723 12.333 4.857 1.00 0.00 C HETATM 2129 C61 C2E A 502 108.707 11.312 4.768 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.310 10.761 5.682 1.00 0.00 O HETATM 2131 N11 C2E A 502 108.996 10.991 3.449 1.00 0.00 N HETATM 2132 C21 C2E A 502 108.415 11.579 2.346 1.00 0.00 C HETATM 2133 N21 C2E A 502 108.824 11.141 1.155 1.00 0.00 N HETATM 2134 N31 C2E A 502 107.492 12.542 2.426 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.198 12.866 3.707 1.00 0.00 C HETATM 0 HO2A C2E A 502 103.344 14.751 0.958 1.00 0.00 H new HETATM 0 HO2' C2E A 502 99.848 13.468 8.279 1.00 0.00 H new HETATM 0 HN24 C2E A 502 109.531 10.408 1.096 1.00 0.00 H new HETATM 0 HN23 C2E A 502 108.430 11.539 0.302 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.331 8.629 12.548 1.00 0.00 H new HETATM 0 HN21 C2E A 502 102.511 7.331 12.760 1.00 0.00 H new HETATM 0 HN11 C2E A 502 109.692 10.264 3.283 1.00 0.00 H new HETATM 0 H512 C2E A 502 101.839 16.087 5.102 1.00 0.00 H new HETATM 0 H511 C2E A 502 103.276 16.965 5.587 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.224 11.684 3.852 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 100.516 10.547 4.181 1.00 0.00 H new HETATM 0 HN1 C2E A 502 103.603 6.451 11.082 1.00 0.00 H new HETATM 0 H81 C2E A 502 105.708 14.450 6.081 1.00 0.00 H new HETATM 0 H8 C2E A 502 101.823 9.193 5.561 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.154 16.458 3.192 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.100 12.425 5.965 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.023 13.580 4.076 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.103 12.043 6.218 1.00 0.00 H new HETATM 0 H2A C2E A 502 104.600 12.943 2.309 1.00 0.00 H new HETATM 0 H2' C2E A 502 101.779 11.807 8.663 1.00 0.00 H new HETATM 0 H1A C2E A 502 106.268 15.071 2.451 1.00 0.00 H new HETATM 0 H1' C2E A 502 99.704 10.128 8.594 1.00 0.00 H new