USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 MET CE :methyl -131:sc= -0.0685 (180deg=-0.95) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -156:sc= 0.495 (180deg=0.178) USER MOD Set 1.3: A 76 SER OG : rot 180:sc= -0.763 USER MOD Set 2.1: A 25 HIS : no HE2:sc= 0.373 K(o=-0.22,f=-5.3!) USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= -0.593 F(o=-1.5!,f=-0.22) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= 0.0112 USER MOD Set 3.2: A 61 MET CE :methyl -127:sc= -0.645 (180deg=-4.69!) USER MOD Set 3.3: A 66 HIS : no HD1:sc= -0.272 X(o=-0.91,f=-0.9) USER MOD Set 3.4: A 79 TYR OH : rot 180:sc=-0.00556 USER MOD Set 4.1: A 28 GLN : amide:sc= 1.07 K(o=0.92,f=-0.11) USER MOD Set 4.2: A 53 HIS : no HD1:sc= -0.144 X(o=0.92,f=1.1) USER MOD Single : A 2 ASN : amide:sc= 0.286 X(o=0.29,f=-0.017) USER MOD Single : A 5 MET CE :methyl 169:sc=-0.000335 (180deg=-0.155) USER MOD Single : A 11 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.71) USER MOD Single : A 14 THR OG1 : rot -92:sc= 1.21 USER MOD Single : A 21 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.2) USER MOD Single : A 23 GLN : amide:sc= -0.253 K(o=-0.25,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -150:sc= 0.733 USER MOD Single : A 55 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.119 F(o=-0.95,f=-0.12) USER MOD Single : A 77 MET CE :methyl -160:sc= -0.257 (180deg=-0.979) USER MOD Single : A 78 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-1.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -3.587 9.590 -2.477 1.00 23.15 N ATOM 12 CA ASN A 2 -3.411 9.173 -1.088 1.00 1.45 C ATOM 13 C ASN A 2 -3.230 7.665 -0.948 1.00 51.22 C ATOM 14 O ASN A 2 -3.473 7.128 0.124 1.00 70.53 O ATOM 15 CB ASN A 2 -4.439 9.790 -0.120 1.00 52.40 C ATOM 16 CG ASN A 2 -5.851 9.236 -0.246 1.00 24.41 C ATOM 17 OD1 ASN A 2 -6.718 9.929 -0.767 1.00 50.33 O ATOM 18 ND2 ASN A 2 -6.087 8.011 0.197 1.00 45.42 N ATOM 0 HA ASN A 2 -2.464 9.602 -0.761 1.00 1.45 H new ATOM 0 HB2 ASN A 2 -4.093 9.634 0.902 1.00 52.40 H new ATOM 0 HB3 ASN A 2 -4.471 10.867 -0.285 1.00 52.40 H new ATOM 0 HD21 ASN A 2 -7.020 7.609 0.111 1.00 45.42 H new ATOM 0 HD22 ASN A 2 -5.335 7.470 0.624 1.00 45.42 H new ATOM 24 N ILE A 3 -2.834 6.968 -2.011 1.00 64.22 N ATOM 25 CA ILE A 3 -2.779 5.518 -2.087 1.00 10.42 C ATOM 26 C ILE A 3 -1.525 5.198 -2.873 1.00 23.14 C ATOM 27 O ILE A 3 -1.277 5.848 -3.890 1.00 30.12 O ATOM 28 CB ILE A 3 -4.037 4.981 -2.802 1.00 64.11 C ATOM 29 CG1 ILE A 3 -5.280 5.317 -1.957 1.00 30.42 C ATOM 30 CG2 ILE A 3 -3.943 3.468 -3.112 1.00 25.22 C ATOM 31 CD1 ILE A 3 -6.574 5.083 -2.693 1.00 54.40 C ATOM 0 H ILE A 3 -2.532 7.420 -2.874 1.00 64.22 H new ATOM 0 HA ILE A 3 -2.753 5.053 -1.101 1.00 10.42 H new ATOM 0 HB ILE A 3 -4.119 5.473 -3.771 1.00 64.11 H new ATOM 0 HG12 ILE A 3 -5.270 4.713 -1.050 1.00 30.42 H new ATOM 0 HG13 ILE A 3 -5.229 6.360 -1.645 1.00 30.42 H new ATOM 0 HG21 ILE A 3 -4.854 3.142 -3.615 1.00 25.22 H new ATOM 0 HG22 ILE A 3 -3.085 3.282 -3.758 1.00 25.22 H new ATOM 0 HG23 ILE A 3 -3.824 2.913 -2.182 1.00 25.22 H new ATOM 0 HD11 ILE A 3 -7.412 5.338 -2.045 1.00 54.40 H new ATOM 0 HD12 ILE A 3 -6.603 5.707 -3.586 1.00 54.40 H new ATOM 0 HD13 ILE A 3 -6.644 4.034 -2.981 1.00 54.40 H new ATOM 42 N VAL A 4 -0.802 4.171 -2.442 1.00 72.30 N ATOM 43 CA VAL A 4 0.386 3.635 -3.079 1.00 41.04 C ATOM 44 C VAL A 4 0.196 2.134 -3.266 1.00 4.25 C ATOM 45 O VAL A 4 0.064 1.373 -2.307 1.00 22.14 O ATOM 46 CB VAL A 4 1.642 4.061 -2.313 1.00 30.32 C ATOM 47 CG1 VAL A 4 2.882 3.331 -2.830 1.00 12.11 C ATOM 48 CG2 VAL A 4 1.838 5.564 -2.554 1.00 12.22 C ATOM 0 H VAL A 4 -1.046 3.665 -1.591 1.00 72.30 H new ATOM 0 HA VAL A 4 0.537 4.047 -4.077 1.00 41.04 H new ATOM 0 HB VAL A 4 1.516 3.824 -1.257 1.00 30.32 H new ATOM 0 HG11 VAL A 4 3.757 3.655 -2.266 1.00 12.11 H new ATOM 0 HG12 VAL A 4 2.749 2.256 -2.707 1.00 12.11 H new ATOM 0 HG13 VAL A 4 3.026 3.561 -3.886 1.00 12.11 H new ATOM 0 HG21 VAL A 4 2.726 5.905 -2.022 1.00 12.22 H new ATOM 0 HG22 VAL A 4 1.961 5.748 -3.621 1.00 12.22 H new ATOM 0 HG23 VAL A 4 0.966 6.108 -2.190 1.00 12.22 H new ATOM 58 N MET A 5 0.119 1.730 -4.530 1.00 64.13 N ATOM 59 CA MET A 5 0.355 0.373 -4.983 1.00 53.00 C ATOM 60 C MET A 5 1.850 0.102 -4.848 1.00 44.41 C ATOM 61 O MET A 5 2.641 0.706 -5.575 1.00 11.01 O ATOM 62 CB MET A 5 -0.057 0.251 -6.460 1.00 51.10 C ATOM 63 CG MET A 5 -1.414 -0.420 -6.609 1.00 43.14 C ATOM 64 SD MET A 5 -1.928 -0.632 -8.330 1.00 73.30 S ATOM 65 CE MET A 5 -0.759 -1.898 -8.901 1.00 33.34 C ATOM 0 H MET A 5 -0.119 2.366 -5.291 1.00 64.13 H new ATOM 0 HA MET A 5 -0.223 -0.341 -4.395 1.00 53.00 H new ATOM 0 HB2 MET A 5 -0.089 1.242 -6.913 1.00 51.10 H new ATOM 0 HB3 MET A 5 0.695 -0.323 -7.002 1.00 51.10 H new ATOM 0 HG2 MET A 5 -1.383 -1.396 -6.124 1.00 43.14 H new ATOM 0 HG3 MET A 5 -2.163 0.173 -6.085 1.00 43.14 H new ATOM 0 HE1 MET A 5 -1.074 -2.271 -9.876 1.00 33.34 H new ATOM 0 HE2 MET A 5 0.237 -1.463 -8.983 1.00 33.34 H new ATOM 0 HE3 MET A 5 -0.737 -2.722 -8.187 1.00 33.34 H new ATOM 73 N LEU A 6 2.245 -0.791 -3.942 1.00 25.54 N ATOM 74 CA LEU A 6 3.620 -1.281 -3.868 1.00 61.13 C ATOM 75 C LEU A 6 3.736 -2.512 -4.756 1.00 34.34 C ATOM 76 O LEU A 6 3.493 -3.623 -4.296 1.00 44.12 O ATOM 77 CB LEU A 6 4.002 -1.681 -2.433 1.00 62.23 C ATOM 78 CG LEU A 6 4.084 -0.581 -1.374 1.00 42.14 C ATOM 79 CD1 LEU A 6 4.442 -1.257 -0.046 1.00 43.12 C ATOM 80 CD2 LEU A 6 5.154 0.446 -1.751 1.00 1.33 C ATOM 0 H LEU A 6 1.623 -1.194 -3.241 1.00 25.54 H new ATOM 0 HA LEU A 6 4.289 -0.484 -4.193 1.00 61.13 H new ATOM 0 HB2 LEU A 6 3.279 -2.420 -2.090 1.00 62.23 H new ATOM 0 HB3 LEU A 6 4.971 -2.178 -2.473 1.00 62.23 H new ATOM 0 HG LEU A 6 3.134 -0.052 -1.296 1.00 42.14 H new ATOM 0 HD11 LEU A 6 4.510 -0.504 0.739 1.00 43.12 H new ATOM 0 HD12 LEU A 6 3.670 -1.982 0.213 1.00 43.12 H new ATOM 0 HD13 LEU A 6 5.400 -1.767 -0.144 1.00 43.12 H new ATOM 0 HD21 LEU A 6 5.199 1.222 -0.987 1.00 1.33 H new ATOM 0 HD22 LEU A 6 6.123 -0.048 -1.824 1.00 1.33 H new ATOM 0 HD23 LEU A 6 4.903 0.897 -2.711 1.00 1.33 H new ATOM 91 N ARG A 7 4.070 -2.362 -6.032 1.00 65.43 N ATOM 92 CA ARG A 7 4.292 -3.528 -6.888 1.00 74.21 C ATOM 93 C ARG A 7 5.615 -4.199 -6.533 1.00 50.32 C ATOM 94 O ARG A 7 6.576 -3.523 -6.170 1.00 1.04 O ATOM 95 CB ARG A 7 4.307 -3.094 -8.357 1.00 41.13 C ATOM 96 CG ARG A 7 2.893 -2.831 -8.902 1.00 74.22 C ATOM 97 CD ARG A 7 2.456 -3.895 -9.920 1.00 51.12 C ATOM 98 NE ARG A 7 3.273 -3.837 -11.148 1.00 45.30 N ATOM 99 CZ ARG A 7 2.840 -3.872 -12.412 1.00 2.35 C ATOM 100 NH1 ARG A 7 1.560 -4.100 -12.680 1.00 32.12 N ATOM 101 NH2 ARG A 7 3.685 -3.658 -13.413 1.00 4.21 N ATOM 0 H ARG A 7 4.192 -1.461 -6.494 1.00 65.43 H new ATOM 0 HA ARG A 7 3.483 -4.242 -6.730 1.00 74.21 H new ATOM 0 HB2 ARG A 7 4.908 -2.190 -8.461 1.00 41.13 H new ATOM 0 HB3 ARG A 7 4.787 -3.867 -8.957 1.00 41.13 H new ATOM 0 HG2 ARG A 7 2.184 -2.810 -8.074 1.00 74.22 H new ATOM 0 HG3 ARG A 7 2.864 -1.848 -9.371 1.00 74.22 H new ATOM 0 HD2 ARG A 7 2.541 -4.885 -9.472 1.00 51.12 H new ATOM 0 HD3 ARG A 7 1.406 -3.748 -10.173 1.00 51.12 H new ATOM 0 HE ARG A 7 4.282 -3.762 -11.017 1.00 45.30 H new ATOM 0 HH11 ARG A 7 0.898 -4.250 -11.918 1.00 32.12 H new ATOM 0 HH12 ARG A 7 1.238 -4.125 -13.648 1.00 32.12 H new ATOM 0 HH21 ARG A 7 4.668 -3.466 -13.219 1.00 4.21 H new ATOM 0 HH22 ARG A 7 3.352 -3.685 -14.377 1.00 4.21 H new ATOM 112 N MET A 8 5.697 -5.506 -6.792 1.00 54.01 N ATOM 113 CA MET A 8 6.913 -6.322 -6.764 1.00 3.44 C ATOM 114 C MET A 8 7.375 -6.632 -5.334 1.00 2.45 C ATOM 115 O MET A 8 8.562 -6.872 -5.094 1.00 41.44 O ATOM 116 CB MET A 8 8.035 -5.737 -7.651 1.00 34.51 C ATOM 117 CG MET A 8 7.528 -5.162 -8.977 1.00 1.24 C ATOM 118 SD MET A 8 8.658 -5.199 -10.400 1.00 13.34 S ATOM 119 CE MET A 8 10.110 -4.361 -9.723 1.00 63.23 C ATOM 0 H MET A 8 4.873 -6.053 -7.040 1.00 54.01 H new ATOM 0 HA MET A 8 6.655 -7.283 -7.208 1.00 3.44 H new ATOM 0 HB2 MET A 8 8.553 -4.953 -7.098 1.00 34.51 H new ATOM 0 HB3 MET A 8 8.767 -6.517 -7.859 1.00 34.51 H new ATOM 0 HG2 MET A 8 6.623 -5.703 -9.253 1.00 1.24 H new ATOM 0 HG3 MET A 8 7.239 -4.125 -8.805 1.00 1.24 H new ATOM 0 HE1 MET A 8 10.440 -3.588 -10.417 1.00 63.23 H new ATOM 0 HE2 MET A 8 9.854 -3.905 -8.766 1.00 63.23 H new ATOM 0 HE3 MET A 8 10.912 -5.084 -9.577 1.00 63.23 H new ATOM 127 N LEU A 9 6.449 -6.669 -4.373 1.00 2.32 N ATOM 128 CA LEU A 9 6.684 -7.280 -3.072 1.00 3.02 C ATOM 129 C LEU A 9 7.008 -8.765 -3.261 1.00 41.23 C ATOM 130 O LEU A 9 6.524 -9.390 -4.209 1.00 53.24 O ATOM 131 CB LEU A 9 5.438 -7.141 -2.170 1.00 73.33 C ATOM 132 CG LEU A 9 5.517 -6.010 -1.142 1.00 10.24 C ATOM 133 CD1 LEU A 9 5.808 -4.664 -1.790 1.00 5.32 C ATOM 134 CD2 LEU A 9 4.195 -5.908 -0.383 1.00 34.13 C ATOM 0 H LEU A 9 5.515 -6.274 -4.480 1.00 2.32 H new ATOM 0 HA LEU A 9 7.521 -6.771 -2.593 1.00 3.02 H new ATOM 0 HB2 LEU A 9 4.565 -6.979 -2.802 1.00 73.33 H new ATOM 0 HB3 LEU A 9 5.280 -8.082 -1.643 1.00 73.33 H new ATOM 0 HG LEU A 9 6.336 -6.249 -0.464 1.00 10.24 H new ATOM 0 HD11 LEU A 9 5.855 -3.893 -1.021 1.00 5.32 H new ATOM 0 HD12 LEU A 9 6.762 -4.712 -2.315 1.00 5.32 H new ATOM 0 HD13 LEU A 9 5.016 -4.422 -2.499 1.00 5.32 H new ATOM 0 HD21 LEU A 9 4.256 -5.101 0.348 1.00 34.13 H new ATOM 0 HD22 LEU A 9 3.387 -5.701 -1.085 1.00 34.13 H new ATOM 0 HD23 LEU A 9 3.997 -6.849 0.131 1.00 34.13 H new ATOM 145 N PRO A 10 7.774 -9.358 -2.337 1.00 10.03 N ATOM 146 CA PRO A 10 7.867 -10.802 -2.207 1.00 61.43 C ATOM 147 C PRO A 10 6.545 -11.355 -1.681 1.00 73.21 C ATOM 148 O PRO A 10 5.685 -10.616 -1.192 1.00 5.13 O ATOM 149 CB PRO A 10 9.001 -11.054 -1.215 1.00 72.40 C ATOM 150 CG PRO A 10 9.051 -9.780 -0.380 1.00 65.40 C ATOM 151 CD PRO A 10 8.515 -8.683 -1.289 1.00 22.25 C ATOM 0 HA PRO A 10 8.065 -11.294 -3.160 1.00 61.43 H new ATOM 0 HB2 PRO A 10 8.803 -11.929 -0.596 1.00 72.40 H new ATOM 0 HB3 PRO A 10 9.947 -11.233 -1.727 1.00 72.40 H new ATOM 0 HG2 PRO A 10 8.445 -9.876 0.521 1.00 65.40 H new ATOM 0 HG3 PRO A 10 10.069 -9.561 -0.057 1.00 65.40 H new ATOM 0 HD2 PRO A 10 7.872 -7.998 -0.736 1.00 22.25 H new ATOM 0 HD3 PRO A 10 9.329 -8.090 -1.707 1.00 22.25 H new ATOM 156 N GLN A 11 6.396 -12.675 -1.706 1.00 65.31 N ATOM 157 CA GLN A 11 5.279 -13.331 -1.034 1.00 52.34 C ATOM 158 C GLN A 11 5.480 -13.347 0.480 1.00 71.41 C ATOM 159 O GLN A 11 4.493 -13.365 1.212 1.00 52.44 O ATOM 160 CB GLN A 11 5.104 -14.767 -1.554 1.00 2.01 C ATOM 161 CG GLN A 11 4.214 -14.835 -2.801 1.00 4.31 C ATOM 162 CD GLN A 11 2.804 -14.301 -2.558 1.00 64.11 C ATOM 163 OE1 GLN A 11 2.330 -13.410 -3.261 1.00 45.03 O ATOM 164 NE2 GLN A 11 2.103 -14.766 -1.539 1.00 52.30 N ATOM 0 H GLN A 11 7.034 -13.312 -2.184 1.00 65.31 H new ATOM 0 HA GLN A 11 4.377 -12.761 -1.256 1.00 52.34 H new ATOM 0 HB2 GLN A 11 6.082 -15.188 -1.786 1.00 2.01 H new ATOM 0 HB3 GLN A 11 4.670 -15.385 -0.768 1.00 2.01 H new ATOM 0 HG2 GLN A 11 4.679 -14.264 -3.604 1.00 4.31 H new ATOM 0 HG3 GLN A 11 4.151 -15.869 -3.140 1.00 4.31 H new ATOM 0 HE21 GLN A 11 2.488 -15.505 -0.950 1.00 52.30 H new ATOM 0 HE22 GLN A 11 1.177 -14.386 -1.341 1.00 52.30 H new ATOM 171 N ALA A 12 6.728 -13.359 0.952 1.00 34.11 N ATOM 172 CA ALA A 12 7.060 -13.442 2.366 1.00 51.22 C ATOM 173 C ALA A 12 6.892 -12.098 3.091 1.00 54.40 C ATOM 174 O ALA A 12 7.021 -12.064 4.313 1.00 74.34 O ATOM 175 CB ALA A 12 8.493 -13.969 2.524 1.00 43.11 C ATOM 0 H ALA A 12 7.548 -13.310 0.347 1.00 34.11 H new ATOM 0 HA ALA A 12 6.359 -14.134 2.833 1.00 51.22 H new ATOM 0 HB1 ALA A 12 8.743 -14.032 3.583 1.00 43.11 H new ATOM 0 HB2 ALA A 12 8.568 -14.959 2.074 1.00 43.11 H new ATOM 0 HB3 ALA A 12 9.187 -13.291 2.027 1.00 43.11 H new ATOM 181 N ALA A 13 6.611 -11.010 2.365 1.00 21.44 N ATOM 182 CA ALA A 13 6.290 -9.707 2.936 1.00 74.40 C ATOM 183 C ALA A 13 5.120 -9.816 3.916 1.00 74.33 C ATOM 184 O ALA A 13 4.173 -10.556 3.630 1.00 12.43 O ATOM 185 CB ALA A 13 5.885 -8.764 1.792 1.00 10.25 C ATOM 0 H ALA A 13 6.601 -11.016 1.345 1.00 21.44 H new ATOM 0 HA ALA A 13 7.161 -9.328 3.470 1.00 74.40 H new ATOM 0 HB1 ALA A 13 5.641 -7.783 2.199 1.00 10.25 H new ATOM 0 HB2 ALA A 13 6.712 -8.670 1.088 1.00 10.25 H new ATOM 0 HB3 ALA A 13 5.015 -9.170 1.277 1.00 10.25 H new ATOM 191 N THR A 14 5.114 -9.011 4.983 1.00 70.13 N ATOM 192 CA THR A 14 3.924 -8.835 5.804 1.00 23.23 C ATOM 193 C THR A 14 3.443 -7.395 5.686 1.00 45.31 C ATOM 194 O THR A 14 4.085 -6.543 5.070 1.00 51.32 O ATOM 195 CB THR A 14 4.167 -9.307 7.255 1.00 53.40 C ATOM 196 OG1 THR A 14 4.767 -8.312 8.058 1.00 12.04 O ATOM 197 CG2 THR A 14 4.961 -10.616 7.359 1.00 10.35 C ATOM 0 H THR A 14 5.923 -8.473 5.294 1.00 70.13 H new ATOM 0 HA THR A 14 3.118 -9.471 5.439 1.00 23.23 H new ATOM 0 HB THR A 14 3.167 -9.507 7.641 1.00 53.40 H new ATOM 0 HG1 THR A 14 5.742 -8.409 8.025 1.00 12.04 H new ATOM 0 HG21 THR A 14 5.090 -10.881 8.408 1.00 10.35 H new ATOM 0 HG22 THR A 14 4.419 -11.412 6.848 1.00 10.35 H new ATOM 0 HG23 THR A 14 5.939 -10.486 6.895 1.00 10.35 H new ATOM 205 N GLU A 15 2.279 -7.132 6.264 1.00 72.44 N ATOM 206 CA GLU A 15 1.730 -5.804 6.410 1.00 52.20 C ATOM 207 C GLU A 15 2.611 -4.994 7.363 1.00 62.41 C ATOM 208 O GLU A 15 2.810 -3.797 7.172 1.00 44.04 O ATOM 209 CB GLU A 15 0.330 -5.974 7.005 1.00 34.31 C ATOM 210 CG GLU A 15 -0.753 -4.970 6.623 1.00 53.20 C ATOM 211 CD GLU A 15 -1.786 -4.924 7.757 1.00 25.23 C ATOM 212 OE1 GLU A 15 -2.196 -6.009 8.243 1.00 65.51 O ATOM 213 OE2 GLU A 15 -2.102 -3.810 8.223 1.00 42.13 O ATOM 0 H GLU A 15 1.680 -7.860 6.652 1.00 72.44 H new ATOM 0 HA GLU A 15 1.687 -5.279 5.456 1.00 52.20 H new ATOM 0 HB2 GLU A 15 -0.028 -6.967 6.731 1.00 34.31 H new ATOM 0 HB3 GLU A 15 0.428 -5.958 8.091 1.00 34.31 H new ATOM 0 HG2 GLU A 15 -0.318 -3.983 6.465 1.00 53.20 H new ATOM 0 HG3 GLU A 15 -1.229 -5.262 5.687 1.00 53.20 H new ATOM 218 N ASP A 16 3.127 -5.632 8.414 1.00 1.05 N ATOM 219 CA ASP A 16 3.792 -4.922 9.501 1.00 42.41 C ATOM 220 C ASP A 16 5.155 -4.402 9.066 1.00 53.30 C ATOM 221 O ASP A 16 5.575 -3.322 9.478 1.00 65.32 O ATOM 222 CB ASP A 16 3.930 -5.821 10.736 1.00 4.32 C ATOM 223 CG ASP A 16 3.337 -5.169 11.980 1.00 23.43 C ATOM 224 OD1 ASP A 16 2.286 -4.489 11.889 1.00 4.21 O ATOM 225 OD2 ASP A 16 3.827 -5.443 13.093 1.00 45.34 O ATOM 0 H ASP A 16 3.095 -6.645 8.533 1.00 1.05 H new ATOM 0 HA ASP A 16 3.172 -4.065 9.765 1.00 42.41 H new ATOM 0 HB2 ASP A 16 3.431 -6.772 10.551 1.00 4.32 H new ATOM 0 HB3 ASP A 16 4.983 -6.042 10.909 1.00 4.32 H new ATOM 229 N ASP A 17 5.774 -5.140 8.145 1.00 10.33 N ATOM 230 CA ASP A 17 6.994 -4.807 7.420 1.00 42.42 C ATOM 231 C ASP A 17 6.884 -3.396 6.837 1.00 21.34 C ATOM 232 O ASP A 17 7.809 -2.588 6.894 1.00 14.21 O ATOM 233 CB ASP A 17 7.200 -5.797 6.278 1.00 21.13 C ATOM 234 CG ASP A 17 7.474 -7.248 6.675 1.00 53.13 C ATOM 235 OD1 ASP A 17 7.344 -7.645 7.855 1.00 13.24 O ATOM 236 OD2 ASP A 17 7.713 -8.057 5.752 1.00 25.25 O ATOM 0 H ASP A 17 5.408 -6.051 7.868 1.00 10.33 H new ATOM 0 HA ASP A 17 7.837 -4.855 8.109 1.00 42.42 H new ATOM 0 HB2 ASP A 17 6.312 -5.778 5.646 1.00 21.13 H new ATOM 0 HB3 ASP A 17 8.033 -5.447 5.669 1.00 21.13 H new ATOM 240 N ILE A 18 5.722 -3.112 6.248 1.00 5.35 N ATOM 241 CA ILE A 18 5.429 -1.883 5.536 1.00 74.22 C ATOM 242 C ILE A 18 5.039 -0.796 6.543 1.00 31.32 C ATOM 243 O ILE A 18 5.438 0.353 6.369 1.00 21.55 O ATOM 244 CB ILE A 18 4.330 -2.167 4.491 1.00 2.02 C ATOM 245 CG1 ILE A 18 4.747 -3.261 3.481 1.00 41.03 C ATOM 246 CG2 ILE A 18 3.898 -0.898 3.743 1.00 4.14 C ATOM 247 CD1 ILE A 18 3.528 -3.959 2.875 1.00 11.03 C ATOM 0 H ILE A 18 4.935 -3.760 6.258 1.00 5.35 H new ATOM 0 HA ILE A 18 6.303 -1.515 4.998 1.00 74.22 H new ATOM 0 HB ILE A 18 3.475 -2.537 5.056 1.00 2.02 H new ATOM 0 HG12 ILE A 18 5.345 -2.815 2.686 1.00 41.03 H new ATOM 0 HG13 ILE A 18 5.378 -3.997 3.980 1.00 41.03 H new ATOM 0 HG21 ILE A 18 3.123 -1.149 3.019 1.00 4.14 H new ATOM 0 HG22 ILE A 18 3.507 -0.171 4.455 1.00 4.14 H new ATOM 0 HG23 ILE A 18 4.756 -0.472 3.223 1.00 4.14 H new ATOM 0 HD11 ILE A 18 3.859 -4.722 2.170 1.00 11.03 H new ATOM 0 HD12 ILE A 18 2.945 -4.427 3.668 1.00 11.03 H new ATOM 0 HD13 ILE A 18 2.911 -3.227 2.354 1.00 11.03 H new ATOM 258 N ARG A 19 4.318 -1.136 7.621 1.00 31.35 N ATOM 259 CA ARG A 19 4.003 -0.175 8.693 1.00 31.31 C ATOM 260 C ARG A 19 5.298 0.420 9.244 1.00 31.15 C ATOM 261 O ARG A 19 5.394 1.637 9.419 1.00 74.32 O ATOM 262 CB ARG A 19 3.118 -0.815 9.776 1.00 10.23 C ATOM 263 CG ARG A 19 1.670 -0.871 9.259 1.00 43.42 C ATOM 264 CD ARG A 19 0.831 -2.003 9.854 1.00 3.24 C ATOM 265 NE ARG A 19 -0.019 -1.544 10.958 1.00 50.00 N ATOM 266 CZ ARG A 19 -0.641 -2.339 11.829 1.00 13.35 C ATOM 267 NH1 ARG A 19 -0.320 -3.616 11.944 1.00 3.02 N ATOM 268 NH2 ARG A 19 -1.597 -1.835 12.592 1.00 24.51 N ATOM 0 H ARG A 19 3.940 -2.071 7.776 1.00 31.35 H new ATOM 0 HA ARG A 19 3.415 0.647 8.285 1.00 31.31 H new ATOM 0 HB2 ARG A 19 3.474 -1.818 10.011 1.00 10.23 H new ATOM 0 HB3 ARG A 19 3.168 -0.234 10.697 1.00 10.23 H new ATOM 0 HG2 ARG A 19 1.182 0.079 9.476 1.00 43.42 H new ATOM 0 HG3 ARG A 19 1.688 -0.980 8.175 1.00 43.42 H new ATOM 0 HD2 ARG A 19 0.206 -2.438 9.074 1.00 3.24 H new ATOM 0 HD3 ARG A 19 1.492 -2.793 10.211 1.00 3.24 H new ATOM 0 HE ARG A 19 -0.144 -0.538 11.068 1.00 50.00 H new ATOM 0 HH11 ARG A 19 0.417 -4.011 11.360 1.00 3.02 H new ATOM 0 HH12 ARG A 19 -0.809 -4.206 12.617 1.00 3.02 H new ATOM 0 HH21 ARG A 19 -1.849 -0.850 12.509 1.00 24.51 H new ATOM 0 HH22 ARG A 19 -2.082 -2.431 13.263 1.00 24.51 H new ATOM 279 N GLY A 20 6.322 -0.416 9.415 1.00 31.11 N ATOM 280 CA GLY A 20 7.645 0.029 9.804 1.00 65.33 C ATOM 281 C GLY A 20 8.282 0.950 8.761 1.00 22.55 C ATOM 282 O GLY A 20 8.866 1.969 9.127 1.00 24.52 O ATOM 0 H GLY A 20 6.249 -1.425 9.285 1.00 31.11 H new ATOM 0 HA2 GLY A 20 7.583 0.553 10.758 1.00 65.33 H new ATOM 0 HA3 GLY A 20 8.286 -0.839 9.958 1.00 65.33 H new ATOM 286 N GLN A 21 8.163 0.640 7.466 1.00 52.04 N ATOM 287 CA GLN A 21 8.791 1.413 6.397 1.00 21.53 C ATOM 288 C GLN A 21 8.196 2.812 6.298 1.00 52.41 C ATOM 289 O GLN A 21 8.882 3.760 5.911 1.00 10.31 O ATOM 290 CB GLN A 21 8.583 0.701 5.058 1.00 10.05 C ATOM 291 CG GLN A 21 9.477 -0.529 4.881 1.00 71.12 C ATOM 292 CD GLN A 21 10.567 -0.211 3.872 1.00 63.14 C ATOM 293 OE1 GLN A 21 10.354 -0.334 2.672 1.00 32.32 O ATOM 294 NE2 GLN A 21 11.719 0.245 4.328 1.00 72.13 N ATOM 0 H GLN A 21 7.625 -0.159 7.131 1.00 52.04 H new ATOM 0 HA GLN A 21 9.853 1.497 6.628 1.00 21.53 H new ATOM 0 HB2 GLN A 21 7.539 0.398 4.974 1.00 10.05 H new ATOM 0 HB3 GLN A 21 8.778 1.403 4.247 1.00 10.05 H new ATOM 0 HG2 GLN A 21 9.920 -0.812 5.836 1.00 71.12 H new ATOM 0 HG3 GLN A 21 8.885 -1.378 4.540 1.00 71.12 H new ATOM 0 HE21 GLN A 21 11.869 0.337 5.333 1.00 72.13 H new ATOM 0 HE22 GLN A 21 12.459 0.505 3.676 1.00 72.13 H new ATOM 301 N LEU A 22 6.915 2.947 6.622 1.00 34.52 N ATOM 302 CA LEU A 22 6.223 4.221 6.615 1.00 34.13 C ATOM 303 C LEU A 22 6.770 5.067 7.748 1.00 70.40 C ATOM 304 O LEU A 22 7.277 6.169 7.518 1.00 42.12 O ATOM 305 CB LEU A 22 4.716 3.995 6.747 1.00 13.04 C ATOM 306 CG LEU A 22 4.175 3.240 5.520 1.00 30.35 C ATOM 307 CD1 LEU A 22 2.921 2.468 5.887 1.00 41.41 C ATOM 308 CD2 LEU A 22 3.812 4.217 4.426 1.00 72.34 C ATOM 0 H LEU A 22 6.325 2.163 6.900 1.00 34.52 H new ATOM 0 HA LEU A 22 6.388 4.747 5.674 1.00 34.13 H new ATOM 0 HB2 LEU A 22 4.505 3.427 7.653 1.00 13.04 H new ATOM 0 HB3 LEU A 22 4.206 4.953 6.846 1.00 13.04 H new ATOM 0 HG LEU A 22 4.952 2.557 5.177 1.00 30.35 H new ATOM 0 HD11 LEU A 22 2.550 1.939 5.009 1.00 41.41 H new ATOM 0 HD12 LEU A 22 3.153 1.749 6.673 1.00 41.41 H new ATOM 0 HD13 LEU A 22 2.158 3.161 6.243 1.00 41.41 H new ATOM 0 HD21 LEU A 22 3.430 3.671 3.563 1.00 72.34 H new ATOM 0 HD22 LEU A 22 3.046 4.902 4.790 1.00 72.34 H new ATOM 0 HD23 LEU A 22 4.697 4.783 4.135 1.00 72.34 H new ATOM 319 N GLN A 23 6.717 4.528 8.967 1.00 25.51 N ATOM 320 CA GLN A 23 7.187 5.244 10.137 1.00 54.13 C ATOM 321 C GLN A 23 8.700 5.461 10.111 1.00 45.11 C ATOM 322 O GLN A 23 9.149 6.411 10.751 1.00 51.10 O ATOM 323 CB GLN A 23 6.724 4.551 11.424 1.00 74.44 C ATOM 324 CG GLN A 23 5.224 4.766 11.708 1.00 23.42 C ATOM 325 CD GLN A 23 4.811 6.224 11.967 1.00 53.20 C ATOM 326 OE1 GLN A 23 5.634 7.127 12.151 1.00 52.00 O ATOM 327 NE2 GLN A 23 3.512 6.477 12.026 1.00 5.45 N ATOM 0 H GLN A 23 6.351 3.596 9.162 1.00 25.51 H new ATOM 0 HA GLN A 23 6.738 6.237 10.118 1.00 54.13 H new ATOM 0 HB2 GLN A 23 6.926 3.482 11.350 1.00 74.44 H new ATOM 0 HB3 GLN A 23 7.307 4.928 12.265 1.00 74.44 H new ATOM 0 HG2 GLN A 23 4.652 4.388 10.861 1.00 23.42 H new ATOM 0 HG3 GLN A 23 4.945 4.166 12.574 1.00 23.42 H new ATOM 0 HE21 GLN A 23 2.839 5.726 11.873 1.00 5.45 H new ATOM 0 HE22 GLN A 23 3.185 7.423 12.224 1.00 5.45 H new ATOM 334 N SER A 24 9.487 4.711 9.321 1.00 33.11 N ATOM 335 CA SER A 24 10.886 5.040 9.099 1.00 3.23 C ATOM 336 C SER A 24 11.016 6.481 8.573 1.00 11.45 C ATOM 337 O SER A 24 11.881 7.217 9.040 1.00 65.10 O ATOM 338 CB SER A 24 11.500 3.985 8.167 1.00 12.14 C ATOM 339 OG SER A 24 12.898 4.152 8.058 1.00 74.44 O ATOM 0 H SER A 24 9.169 3.875 8.830 1.00 33.11 H new ATOM 0 HA SER A 24 11.447 5.013 10.033 1.00 3.23 H new ATOM 0 HB2 SER A 24 11.279 2.988 8.547 1.00 12.14 H new ATOM 0 HB3 SER A 24 11.044 4.059 7.180 1.00 12.14 H new ATOM 0 HG SER A 24 13.264 3.467 7.460 1.00 74.44 H new ATOM 344 N HIS A 25 10.118 6.941 7.692 1.00 42.42 N ATOM 345 CA HIS A 25 10.088 8.324 7.194 1.00 45.31 C ATOM 346 C HIS A 25 9.093 9.206 7.964 1.00 71.42 C ATOM 347 O HIS A 25 8.929 10.382 7.642 1.00 43.12 O ATOM 348 CB HIS A 25 9.777 8.310 5.693 1.00 21.55 C ATOM 349 CG HIS A 25 10.858 7.649 4.895 1.00 74.24 C ATOM 350 ND1 HIS A 25 11.966 8.243 4.331 1.00 43.20 N ATOM 351 CD2 HIS A 25 10.912 6.312 4.641 1.00 42.34 C ATOM 352 CE1 HIS A 25 12.670 7.274 3.724 1.00 43.33 C ATOM 353 NE2 HIS A 25 12.069 6.081 3.901 1.00 14.22 N ATOM 0 H HIS A 25 9.381 6.355 7.299 1.00 42.42 H new ATOM 0 HA HIS A 25 11.070 8.768 7.359 1.00 45.31 H new ATOM 0 HB2 HIS A 25 8.834 7.790 5.524 1.00 21.55 H new ATOM 0 HB3 HIS A 25 9.644 9.333 5.342 1.00 21.55 H new ATOM 0 HD1 HIS A 25 12.206 9.234 4.368 1.00 43.20 H new ATOM 0 HD2 HIS A 25 10.193 5.570 4.955 1.00 42.34 H new ATOM 0 HE1 HIS A 25 13.586 7.429 3.173 1.00 43.33 H new ATOM 360 N GLY A 26 8.415 8.656 8.973 1.00 45.02 N ATOM 361 CA GLY A 26 7.507 9.395 9.835 1.00 52.00 C ATOM 362 C GLY A 26 6.082 9.418 9.303 1.00 21.45 C ATOM 363 O GLY A 26 5.251 10.192 9.783 1.00 63.11 O ATOM 0 H GLY A 26 8.487 7.667 9.213 1.00 45.02 H new ATOM 0 HA2 GLY A 26 7.512 8.949 10.829 1.00 52.00 H new ATOM 0 HA3 GLY A 26 7.867 10.418 9.943 1.00 52.00 H new ATOM 367 N VAL A 27 5.792 8.607 8.293 1.00 44.40 N ATOM 368 CA VAL A 27 4.505 8.565 7.627 1.00 44.22 C ATOM 369 C VAL A 27 3.720 7.422 8.272 1.00 24.12 C ATOM 370 O VAL A 27 4.301 6.532 8.897 1.00 23.14 O ATOM 371 CB VAL A 27 4.744 8.360 6.113 1.00 53.10 C ATOM 372 CG1 VAL A 27 3.568 8.949 5.348 1.00 52.44 C ATOM 373 CG2 VAL A 27 6.036 8.991 5.564 1.00 64.12 C ATOM 0 H VAL A 27 6.466 7.945 7.908 1.00 44.40 H new ATOM 0 HA VAL A 27 3.932 9.486 7.733 1.00 44.22 H new ATOM 0 HB VAL A 27 4.846 7.284 5.975 1.00 53.10 H new ATOM 0 HG11 VAL A 27 3.724 8.811 4.278 1.00 52.44 H new ATOM 0 HG12 VAL A 27 2.649 8.445 5.649 1.00 52.44 H new ATOM 0 HG13 VAL A 27 3.487 10.013 5.568 1.00 52.44 H new ATOM 0 HG21 VAL A 27 6.112 8.792 4.495 1.00 64.12 H new ATOM 0 HG22 VAL A 27 6.015 10.068 5.732 1.00 64.12 H new ATOM 0 HG23 VAL A 27 6.897 8.561 6.075 1.00 64.12 H new ATOM 383 N GLN A 28 2.398 7.432 8.128 1.00 21.55 N ATOM 384 CA GLN A 28 1.531 6.448 8.744 1.00 12.25 C ATOM 385 C GLN A 28 0.721 5.783 7.652 1.00 72.11 C ATOM 386 O GLN A 28 0.242 6.473 6.752 1.00 70.54 O ATOM 387 CB GLN A 28 0.646 7.121 9.807 1.00 34.14 C ATOM 388 CG GLN A 28 -0.699 7.727 9.356 1.00 41.40 C ATOM 389 CD GLN A 28 -0.718 8.879 8.344 1.00 4.14 C ATOM 390 OE1 GLN A 28 -1.690 9.021 7.598 1.00 71.34 O ATOM 391 NE2 GLN A 28 0.244 9.789 8.369 1.00 71.53 N ATOM 0 H GLN A 28 1.900 8.130 7.576 1.00 21.55 H new ATOM 0 HA GLN A 28 2.110 5.682 9.259 1.00 12.25 H new ATOM 0 HB2 GLN A 28 0.436 6.383 10.582 1.00 34.14 H new ATOM 0 HB3 GLN A 28 1.230 7.915 10.273 1.00 34.14 H new ATOM 0 HG2 GLN A 28 -1.296 6.917 8.937 1.00 41.40 H new ATOM 0 HG3 GLN A 28 -1.216 8.073 10.251 1.00 41.40 H new ATOM 0 HE21 GLN A 28 1.046 9.667 8.988 1.00 71.53 H new ATOM 0 HE22 GLN A 28 0.183 10.612 7.770 1.00 71.53 H new ATOM 398 N ALA A 29 0.494 4.476 7.776 1.00 3.32 N ATOM 399 CA ALA A 29 -0.598 3.827 7.132 1.00 1.12 C ATOM 400 C ALA A 29 -1.834 4.006 7.979 1.00 52.14 C ATOM 401 O ALA A 29 -1.973 3.364 9.026 1.00 44.13 O ATOM 402 CB ALA A 29 -0.342 2.372 6.749 1.00 52.32 C ATOM 0 H ALA A 29 1.078 3.853 8.334 1.00 3.32 H new ATOM 0 HA ALA A 29 -0.744 4.308 6.165 1.00 1.12 H new ATOM 0 HB1 ALA A 29 -1.228 1.962 6.265 1.00 52.32 H new ATOM 0 HB2 ALA A 29 0.503 2.320 6.063 1.00 52.32 H new ATOM 0 HB3 ALA A 29 -0.118 1.794 7.645 1.00 52.32 H new ATOM 408 N ARG A 30 -2.717 4.899 7.536 1.00 24.25 N ATOM 409 CA ARG A 30 -4.055 4.962 8.089 1.00 33.43 C ATOM 410 C ARG A 30 -4.824 3.721 7.655 1.00 73.11 C ATOM 411 O ARG A 30 -5.576 3.176 8.453 1.00 25.21 O ATOM 412 CB ARG A 30 -4.743 6.260 7.660 1.00 71.14 C ATOM 413 CG ARG A 30 -6.121 6.409 8.324 1.00 13.45 C ATOM 414 CD ARG A 30 -7.258 6.110 7.336 1.00 31.42 C ATOM 415 NE ARG A 30 -8.542 5.887 8.015 1.00 34.42 N ATOM 416 CZ ARG A 30 -9.257 6.796 8.692 1.00 2.44 C ATOM 417 NH1 ARG A 30 -8.862 8.061 8.782 1.00 2.34 N ATOM 418 NH2 ARG A 30 -10.366 6.451 9.331 1.00 73.54 N ATOM 0 H ARG A 30 -2.526 5.581 6.802 1.00 24.25 H new ATOM 0 HA ARG A 30 -4.019 4.974 9.178 1.00 33.43 H new ATOM 0 HB2 ARG A 30 -4.116 7.111 7.925 1.00 71.14 H new ATOM 0 HB3 ARG A 30 -4.856 6.273 6.576 1.00 71.14 H new ATOM 0 HG2 ARG A 30 -6.191 5.732 9.176 1.00 13.45 H new ATOM 0 HG3 ARG A 30 -6.232 7.422 8.712 1.00 13.45 H new ATOM 0 HD2 ARG A 30 -7.358 6.941 6.638 1.00 31.42 H new ATOM 0 HD3 ARG A 30 -7.003 5.229 6.748 1.00 31.42 H new ATOM 0 HE ARG A 30 -8.928 4.944 7.966 1.00 34.42 H new ATOM 0 HH11 ARG A 30 -7.997 8.359 8.330 1.00 2.34 H new ATOM 0 HH12 ARG A 30 -9.423 8.735 9.303 1.00 2.34 H new ATOM 0 HH21 ARG A 30 -10.686 5.483 9.312 1.00 73.54 H new ATOM 0 HH22 ARG A 30 -10.900 7.154 9.842 1.00 73.54 H new ATOM 429 N GLU A 31 -4.628 3.250 6.425 1.00 63.34 N ATOM 430 CA GLU A 31 -5.262 2.040 5.943 1.00 52.11 C ATOM 431 C GLU A 31 -4.242 1.321 5.075 1.00 45.01 C ATOM 432 O GLU A 31 -3.368 1.977 4.508 1.00 52.33 O ATOM 433 CB GLU A 31 -6.532 2.407 5.155 1.00 32.34 C ATOM 434 CG GLU A 31 -7.713 1.555 5.608 1.00 21.45 C ATOM 435 CD GLU A 31 -8.269 1.887 6.998 1.00 34.42 C ATOM 436 OE1 GLU A 31 -8.459 3.065 7.377 1.00 14.41 O ATOM 437 OE2 GLU A 31 -8.520 0.906 7.741 1.00 44.31 O ATOM 0 H GLU A 31 -4.023 3.702 5.739 1.00 63.34 H new ATOM 0 HA GLU A 31 -5.570 1.387 6.759 1.00 52.11 H new ATOM 0 HB2 GLU A 31 -6.763 3.463 5.299 1.00 32.34 H new ATOM 0 HB3 GLU A 31 -6.359 2.261 4.089 1.00 32.34 H new ATOM 0 HG2 GLU A 31 -8.516 1.661 4.879 1.00 21.45 H new ATOM 0 HG3 GLU A 31 -7.409 0.508 5.597 1.00 21.45 H new ATOM 442 N VAL A 32 -4.324 -0.006 4.961 1.00 11.45 N ATOM 443 CA VAL A 32 -3.364 -0.775 4.174 1.00 62.12 C ATOM 444 C VAL A 32 -3.854 -2.211 4.033 1.00 31.21 C ATOM 445 O VAL A 32 -4.424 -2.791 4.961 1.00 30.42 O ATOM 446 CB VAL A 32 -1.904 -0.660 4.688 1.00 5.24 C ATOM 447 CG1 VAL A 32 -1.744 -0.849 6.202 1.00 54.21 C ATOM 448 CG2 VAL A 32 -0.952 -1.599 3.932 1.00 50.01 C ATOM 0 H VAL A 32 -5.048 -0.570 5.406 1.00 11.45 H new ATOM 0 HA VAL A 32 -3.315 -0.337 3.177 1.00 62.12 H new ATOM 0 HB VAL A 32 -1.627 0.373 4.479 1.00 5.24 H new ATOM 0 HG11 VAL A 32 -0.692 -0.752 6.472 1.00 54.21 H new ATOM 0 HG12 VAL A 32 -2.324 -0.090 6.727 1.00 54.21 H new ATOM 0 HG13 VAL A 32 -2.101 -1.839 6.485 1.00 54.21 H new ATOM 0 HG21 VAL A 32 0.059 -1.485 4.324 1.00 50.01 H new ATOM 0 HG22 VAL A 32 -1.278 -2.631 4.063 1.00 50.01 H new ATOM 0 HG23 VAL A 32 -0.960 -1.348 2.871 1.00 50.01 H new ATOM 458 N ARG A 33 -3.713 -2.758 2.827 1.00 10.22 N ATOM 459 CA ARG A 33 -4.197 -4.065 2.406 1.00 1.12 C ATOM 460 C ARG A 33 -2.985 -4.875 1.949 1.00 72.53 C ATOM 461 O ARG A 33 -2.684 -4.884 0.748 1.00 43.43 O ATOM 462 CB ARG A 33 -5.229 -3.895 1.265 1.00 65.44 C ATOM 463 CG ARG A 33 -6.692 -3.577 1.617 1.00 13.02 C ATOM 464 CD ARG A 33 -6.996 -2.257 2.322 1.00 63.20 C ATOM 465 NE ARG A 33 -6.872 -2.422 3.770 1.00 70.21 N ATOM 466 CZ ARG A 33 -7.720 -2.073 4.732 1.00 74.53 C ATOM 467 NH1 ARG A 33 -8.795 -1.345 4.476 1.00 53.41 N ATOM 468 NH2 ARG A 33 -7.443 -2.470 5.962 1.00 25.34 N ATOM 0 H ARG A 33 -3.228 -2.269 2.075 1.00 10.22 H new ATOM 0 HA ARG A 33 -4.698 -4.586 3.222 1.00 1.12 H new ATOM 0 HB2 ARG A 33 -4.868 -3.100 0.612 1.00 65.44 H new ATOM 0 HB3 ARG A 33 -5.225 -4.814 0.679 1.00 65.44 H new ATOM 0 HG2 ARG A 33 -7.269 -3.601 0.693 1.00 13.02 H new ATOM 0 HG3 ARG A 33 -7.065 -4.384 2.247 1.00 13.02 H new ATOM 0 HD2 ARG A 33 -6.310 -1.484 1.976 1.00 63.20 H new ATOM 0 HD3 ARG A 33 -8.003 -1.925 2.071 1.00 63.20 H new ATOM 0 HE ARG A 33 -6.012 -2.869 4.087 1.00 70.21 H new ATOM 0 HH11 ARG A 33 -8.988 -1.039 3.522 1.00 53.41 H new ATOM 0 HH12 ARG A 33 -9.430 -1.090 5.232 1.00 53.41 H new ATOM 0 HH21 ARG A 33 -6.605 -3.022 6.143 1.00 25.34 H new ATOM 0 HH22 ARG A 33 -8.067 -2.224 6.730 1.00 25.34 H new ATOM 479 N LEU A 34 -2.265 -5.534 2.866 1.00 53.23 N ATOM 480 CA LEU A 34 -1.301 -6.566 2.550 1.00 65.41 C ATOM 481 C LEU A 34 -1.593 -7.793 3.424 1.00 73.20 C ATOM 482 O LEU A 34 -1.009 -7.920 4.499 1.00 65.41 O ATOM 483 CB LEU A 34 0.115 -6.059 2.832 1.00 41.22 C ATOM 484 CG LEU A 34 1.226 -6.976 2.275 1.00 32.34 C ATOM 485 CD1 LEU A 34 1.425 -8.347 2.943 1.00 23.55 C ATOM 486 CD2 LEU A 34 1.087 -7.264 0.777 1.00 14.13 C ATOM 0 H LEU A 34 -2.347 -5.352 3.866 1.00 53.23 H new ATOM 0 HA LEU A 34 -1.376 -6.832 1.495 1.00 65.41 H new ATOM 0 HB2 LEU A 34 0.228 -5.064 2.401 1.00 41.22 H new ATOM 0 HB3 LEU A 34 0.247 -5.957 3.909 1.00 41.22 H new ATOM 0 HG LEU A 34 2.093 -6.358 2.508 1.00 32.34 H new ATOM 0 HD11 LEU A 34 2.237 -8.879 2.447 1.00 23.55 H new ATOM 0 HD12 LEU A 34 1.672 -8.207 3.995 1.00 23.55 H new ATOM 0 HD13 LEU A 34 0.507 -8.929 2.860 1.00 23.55 H new ATOM 0 HD21 LEU A 34 1.901 -7.914 0.454 1.00 14.13 H new ATOM 0 HD22 LEU A 34 0.133 -7.756 0.588 1.00 14.13 H new ATOM 0 HD23 LEU A 34 1.128 -6.327 0.221 1.00 14.13 H new ATOM 616 N ARG A 44 -0.483 -11.151 -3.306 1.00 14.33 N ATOM 617 CA ARG A 44 -0.061 -11.630 -4.628 1.00 32.53 C ATOM 618 C ARG A 44 1.265 -11.032 -5.081 1.00 65.24 C ATOM 619 O ARG A 44 1.778 -11.461 -6.115 1.00 45.44 O ATOM 620 CB ARG A 44 -1.174 -11.383 -5.671 1.00 44.40 C ATOM 621 CG ARG A 44 -1.531 -12.604 -6.524 1.00 24.51 C ATOM 622 CD ARG A 44 -0.558 -12.828 -7.681 1.00 54.32 C ATOM 623 NE ARG A 44 -1.136 -13.714 -8.705 1.00 21.33 N ATOM 624 CZ ARG A 44 -1.108 -13.508 -10.025 1.00 44.30 C ATOM 625 NH1 ARG A 44 -0.343 -12.571 -10.572 1.00 14.02 N ATOM 626 NH2 ARG A 44 -1.886 -14.233 -10.810 1.00 74.43 N ATOM 0 HA ARG A 44 0.107 -12.703 -4.540 1.00 32.53 H new ATOM 0 HB2 ARG A 44 -2.071 -11.044 -5.153 1.00 44.40 H new ATOM 0 HB3 ARG A 44 -0.862 -10.574 -6.331 1.00 44.40 H new ATOM 0 HG2 ARG A 44 -1.545 -13.491 -5.891 1.00 24.51 H new ATOM 0 HG3 ARG A 44 -2.538 -12.481 -6.922 1.00 24.51 H new ATOM 0 HD2 ARG A 44 -0.299 -11.870 -8.131 1.00 54.32 H new ATOM 0 HD3 ARG A 44 0.367 -13.263 -7.302 1.00 54.32 H new ATOM 0 HE ARG A 44 -1.600 -14.561 -8.377 1.00 21.33 H new ATOM 0 HH11 ARG A 44 0.246 -11.984 -9.981 1.00 14.02 H new ATOM 0 HH12 ARG A 44 -0.344 -12.438 -11.583 1.00 14.02 H new ATOM 0 HH21 ARG A 44 -2.500 -14.941 -10.407 1.00 74.43 H new ATOM 0 HH22 ARG A 44 -1.873 -14.084 -11.819 1.00 74.43 H new ATOM 637 N GLY A 45 1.861 -10.126 -4.311 1.00 24.34 N ATOM 638 CA GLY A 45 3.054 -9.408 -4.718 1.00 3.02 C ATOM 639 C GLY A 45 2.871 -7.900 -4.656 1.00 50.03 C ATOM 640 O GLY A 45 3.720 -7.179 -5.184 1.00 52.02 O ATOM 0 H GLY A 45 1.524 -9.871 -3.383 1.00 24.34 H new ATOM 0 HA2 GLY A 45 3.886 -9.697 -4.076 1.00 3.02 H new ATOM 0 HA3 GLY A 45 3.320 -9.698 -5.734 1.00 3.02 H new ATOM 644 N PHE A 46 1.792 -7.403 -4.040 1.00 22.35 N ATOM 645 CA PHE A 46 1.629 -5.989 -3.770 1.00 11.35 C ATOM 646 C PHE A 46 0.711 -5.765 -2.572 1.00 22.14 C ATOM 647 O PHE A 46 -0.046 -6.658 -2.186 1.00 74.52 O ATOM 648 CB PHE A 46 1.124 -5.250 -5.029 1.00 11.32 C ATOM 649 CG PHE A 46 -0.183 -5.710 -5.651 1.00 4.45 C ATOM 650 CD1 PHE A 46 -0.279 -6.976 -6.262 1.00 61.11 C ATOM 651 CD2 PHE A 46 -1.276 -4.826 -5.714 1.00 42.23 C ATOM 652 CE1 PHE A 46 -1.471 -7.379 -6.888 1.00 32.14 C ATOM 653 CE2 PHE A 46 -2.453 -5.214 -6.377 1.00 14.02 C ATOM 654 CZ PHE A 46 -2.557 -6.493 -6.952 1.00 1.42 C ATOM 0 H PHE A 46 1.013 -7.978 -3.719 1.00 22.35 H new ATOM 0 HA PHE A 46 2.602 -5.571 -3.512 1.00 11.35 H new ATOM 0 HB2 PHE A 46 1.020 -4.195 -4.777 1.00 11.32 H new ATOM 0 HB3 PHE A 46 1.900 -5.321 -5.791 1.00 11.32 H new ATOM 0 HD1 PHE A 46 0.571 -7.642 -6.249 1.00 61.11 H new ATOM 0 HD2 PHE A 46 -1.211 -3.851 -5.254 1.00 42.23 H new ATOM 0 HE1 PHE A 46 -1.551 -8.367 -7.318 1.00 32.14 H new ATOM 0 HE2 PHE A 46 -3.282 -4.526 -6.445 1.00 14.02 H new ATOM 0 HZ PHE A 46 -3.471 -6.793 -7.442 1.00 1.42 H new ATOM 663 N ALA A 47 0.819 -4.565 -1.999 1.00 24.52 N ATOM 664 CA ALA A 47 -0.080 -3.942 -1.051 1.00 32.12 C ATOM 665 C ALA A 47 -0.759 -2.750 -1.737 1.00 41.20 C ATOM 666 O ALA A 47 -0.223 -2.222 -2.720 1.00 74.42 O ATOM 667 CB ALA A 47 0.727 -3.428 0.151 1.00 73.52 C ATOM 0 H ALA A 47 1.611 -3.958 -2.212 1.00 24.52 H new ATOM 0 HA ALA A 47 -0.824 -4.663 -0.713 1.00 32.12 H new ATOM 0 HB1 ALA A 47 0.053 -2.958 0.867 1.00 73.52 H new ATOM 0 HB2 ALA A 47 1.240 -4.263 0.629 1.00 73.52 H new ATOM 0 HB3 ALA A 47 1.461 -2.698 -0.189 1.00 73.52 H new ATOM 673 N PHE A 48 -1.854 -2.271 -1.143 1.00 51.32 N ATOM 674 CA PHE A 48 -2.353 -0.907 -1.295 1.00 14.44 C ATOM 675 C PHE A 48 -2.141 -0.248 0.060 1.00 13.25 C ATOM 676 O PHE A 48 -2.608 -0.809 1.049 1.00 12.11 O ATOM 677 CB PHE A 48 -3.851 -0.888 -1.642 1.00 34.12 C ATOM 678 CG PHE A 48 -4.202 -1.462 -2.997 1.00 42.00 C ATOM 679 CD1 PHE A 48 -4.052 -0.668 -4.147 1.00 72.21 C ATOM 680 CD2 PHE A 48 -4.709 -2.770 -3.112 1.00 51.30 C ATOM 681 CE1 PHE A 48 -4.389 -1.185 -5.409 1.00 21.42 C ATOM 682 CE2 PHE A 48 -5.006 -3.303 -4.379 1.00 10.01 C ATOM 683 CZ PHE A 48 -4.840 -2.511 -5.530 1.00 50.00 C ATOM 0 H PHE A 48 -2.433 -2.840 -0.525 1.00 51.32 H new ATOM 0 HA PHE A 48 -1.834 -0.393 -2.104 1.00 14.44 H new ATOM 0 HB2 PHE A 48 -4.393 -1.445 -0.877 1.00 34.12 H new ATOM 0 HB3 PHE A 48 -4.206 0.142 -1.598 1.00 34.12 H new ATOM 0 HD1 PHE A 48 -3.677 0.341 -4.060 1.00 72.21 H new ATOM 0 HD2 PHE A 48 -4.870 -3.365 -2.226 1.00 51.30 H new ATOM 0 HE1 PHE A 48 -4.301 -0.563 -6.287 1.00 21.42 H new ATOM 0 HE2 PHE A 48 -5.361 -4.319 -4.468 1.00 10.01 H new ATOM 0 HZ PHE A 48 -5.059 -2.921 -6.505 1.00 50.00 H new ATOM 692 N VAL A 49 -1.436 0.877 0.121 1.00 23.51 N ATOM 693 CA VAL A 49 -1.007 1.564 1.334 1.00 52.43 C ATOM 694 C VAL A 49 -1.636 2.955 1.240 1.00 50.32 C ATOM 695 O VAL A 49 -1.365 3.670 0.272 1.00 25.45 O ATOM 696 CB VAL A 49 0.547 1.542 1.345 1.00 25.44 C ATOM 697 CG1 VAL A 49 1.126 2.112 2.634 1.00 5.04 C ATOM 698 CG2 VAL A 49 1.120 0.125 1.151 1.00 54.33 C ATOM 0 H VAL A 49 -1.131 1.361 -0.723 1.00 23.51 H new ATOM 0 HA VAL A 49 -1.320 1.113 2.276 1.00 52.43 H new ATOM 0 HB VAL A 49 0.840 2.169 0.503 1.00 25.44 H new ATOM 0 HG11 VAL A 49 2.215 2.074 2.592 1.00 5.04 H new ATOM 0 HG12 VAL A 49 0.803 3.146 2.752 1.00 5.04 H new ATOM 0 HG13 VAL A 49 0.775 1.524 3.482 1.00 5.04 H new ATOM 0 HG21 VAL A 49 2.209 0.168 1.167 1.00 54.33 H new ATOM 0 HG22 VAL A 49 0.770 -0.522 1.955 1.00 54.33 H new ATOM 0 HG23 VAL A 49 0.786 -0.274 0.193 1.00 54.33 H new ATOM 708 N GLU A 50 -2.572 3.300 2.133 1.00 63.33 N ATOM 709 CA GLU A 50 -3.445 4.461 1.990 1.00 1.41 C ATOM 710 C GLU A 50 -3.244 5.429 3.152 1.00 51.24 C ATOM 711 O GLU A 50 -3.118 5.025 4.313 1.00 30.51 O ATOM 712 CB GLU A 50 -4.923 4.062 1.868 1.00 50.43 C ATOM 713 CG GLU A 50 -5.161 2.925 0.866 1.00 61.40 C ATOM 714 CD GLU A 50 -6.614 2.780 0.402 1.00 61.34 C ATOM 715 OE1 GLU A 50 -7.553 2.909 1.226 1.00 4.34 O ATOM 716 OE2 GLU A 50 -6.837 2.464 -0.790 1.00 73.54 O ATOM 0 H GLU A 50 -2.743 2.769 2.987 1.00 63.33 H new ATOM 0 HA GLU A 50 -3.168 4.961 1.062 1.00 1.41 H new ATOM 0 HB2 GLU A 50 -5.293 3.758 2.847 1.00 50.43 H new ATOM 0 HB3 GLU A 50 -5.504 4.933 1.564 1.00 50.43 H new ATOM 0 HG2 GLU A 50 -4.529 3.089 -0.007 1.00 61.40 H new ATOM 0 HG3 GLU A 50 -4.842 1.986 1.319 1.00 61.40 H new ATOM 721 N PHE A 51 -3.191 6.721 2.840 1.00 2.12 N ATOM 722 CA PHE A 51 -2.797 7.763 3.770 1.00 52.44 C ATOM 723 C PHE A 51 -4.021 8.622 4.052 1.00 41.23 C ATOM 724 O PHE A 51 -4.766 8.950 3.127 1.00 52.00 O ATOM 725 CB PHE A 51 -1.652 8.560 3.130 1.00 22.44 C ATOM 726 CG PHE A 51 -0.432 7.705 2.833 1.00 43.21 C ATOM 727 CD1 PHE A 51 -0.345 6.943 1.648 1.00 41.23 C ATOM 728 CD2 PHE A 51 0.594 7.605 3.788 1.00 33.43 C ATOM 729 CE1 PHE A 51 0.751 6.101 1.423 1.00 25.51 C ATOM 730 CE2 PHE A 51 1.715 6.802 3.534 1.00 64.53 C ATOM 731 CZ PHE A 51 1.796 6.053 2.353 1.00 32.14 C ATOM 0 H PHE A 51 -3.427 7.075 1.913 1.00 2.12 H new ATOM 0 HA PHE A 51 -2.438 7.365 4.719 1.00 52.44 H new ATOM 0 HB2 PHE A 51 -2.005 9.015 2.204 1.00 22.44 H new ATOM 0 HB3 PHE A 51 -1.366 9.374 3.796 1.00 22.44 H new ATOM 0 HD1 PHE A 51 -1.130 7.010 0.909 1.00 41.23 H new ATOM 0 HD2 PHE A 51 0.519 8.147 4.719 1.00 33.43 H new ATOM 0 HE1 PHE A 51 0.790 5.490 0.533 1.00 25.51 H new ATOM 0 HE2 PHE A 51 2.520 6.761 4.253 1.00 64.53 H new ATOM 0 HZ PHE A 51 2.664 5.439 2.160 1.00 32.14 H new ATOM 740 N SER A 52 -4.243 9.021 5.307 1.00 23.11 N ATOM 741 CA SER A 52 -5.351 9.929 5.613 1.00 23.44 C ATOM 742 C SER A 52 -5.063 11.343 5.083 1.00 11.02 C ATOM 743 O SER A 52 -5.977 12.160 4.963 1.00 4.42 O ATOM 744 CB SER A 52 -5.613 9.951 7.123 1.00 13.21 C ATOM 745 OG SER A 52 -6.970 9.674 7.428 1.00 4.04 O ATOM 0 H SER A 52 -3.684 8.737 6.112 1.00 23.11 H new ATOM 0 HA SER A 52 -6.248 9.564 5.112 1.00 23.44 H new ATOM 0 HB2 SER A 52 -4.974 9.217 7.613 1.00 13.21 H new ATOM 0 HB3 SER A 52 -5.343 10.928 7.524 1.00 13.21 H new ATOM 0 HG SER A 52 -7.220 10.135 8.256 1.00 4.04 H new ATOM 750 N HIS A 53 -3.813 11.627 4.709 1.00 52.31 N ATOM 751 CA HIS A 53 -3.358 12.909 4.208 1.00 64.22 C ATOM 752 C HIS A 53 -2.745 12.635 2.847 1.00 5.11 C ATOM 753 O HIS A 53 -1.761 11.903 2.758 1.00 53.20 O ATOM 754 CB HIS A 53 -2.342 13.549 5.175 1.00 62.42 C ATOM 755 CG HIS A 53 -2.707 13.380 6.627 1.00 61.21 C ATOM 756 ND1 HIS A 53 -3.471 14.232 7.388 1.00 71.54 N ATOM 757 CD2 HIS A 53 -2.416 12.284 7.390 1.00 62.14 C ATOM 758 CE1 HIS A 53 -3.645 13.653 8.589 1.00 3.44 C ATOM 759 NE2 HIS A 53 -3.030 12.455 8.633 1.00 71.52 N ATOM 0 H HIS A 53 -3.065 10.935 4.752 1.00 52.31 H new ATOM 0 HA HIS A 53 -4.179 13.621 4.125 1.00 64.22 H new ATOM 0 HB2 HIS A 53 -1.360 13.109 5.002 1.00 62.42 H new ATOM 0 HB3 HIS A 53 -2.259 14.612 4.951 1.00 62.42 H new ATOM 0 HD2 HIS A 53 -1.818 11.437 7.086 1.00 62.14 H new ATOM 0 HE1 HIS A 53 -4.201 14.088 9.406 1.00 3.44 H new ATOM 0 HE2 HIS A 53 -3.016 11.803 9.417 1.00 71.52 H new ATOM 766 N LEU A 54 -3.299 13.197 1.775 1.00 65.44 N ATOM 767 CA LEU A 54 -2.715 13.045 0.441 1.00 73.40 C ATOM 768 C LEU A 54 -1.258 13.522 0.400 1.00 25.31 C ATOM 769 O LEU A 54 -0.435 12.904 -0.271 1.00 31.24 O ATOM 770 CB LEU A 54 -3.626 13.712 -0.605 1.00 63.43 C ATOM 771 CG LEU A 54 -3.607 15.252 -0.595 1.00 12.25 C ATOM 772 CD1 LEU A 54 -2.522 15.795 -1.531 1.00 34.12 C ATOM 773 CD2 LEU A 54 -4.969 15.814 -1.024 1.00 62.31 C ATOM 0 H LEU A 54 -4.149 13.760 1.802 1.00 65.44 H new ATOM 0 HA LEU A 54 -2.664 11.987 0.185 1.00 73.40 H new ATOM 0 HB2 LEU A 54 -3.331 13.366 -1.596 1.00 63.43 H new ATOM 0 HB3 LEU A 54 -4.650 13.375 -0.442 1.00 63.43 H new ATOM 0 HG LEU A 54 -3.389 15.570 0.425 1.00 12.25 H new ATOM 0 HD11 LEU A 54 -2.531 16.885 -1.505 1.00 34.12 H new ATOM 0 HD12 LEU A 54 -1.547 15.432 -1.207 1.00 34.12 H new ATOM 0 HD13 LEU A 54 -2.716 15.455 -2.548 1.00 34.12 H new ATOM 0 HD21 LEU A 54 -4.934 16.903 -1.010 1.00 62.31 H new ATOM 0 HD22 LEU A 54 -5.203 15.471 -2.032 1.00 62.31 H new ATOM 0 HD23 LEU A 54 -5.739 15.467 -0.335 1.00 62.31 H new ATOM 784 N GLN A 55 -0.926 14.553 1.185 1.00 11.04 N ATOM 785 CA GLN A 55 0.423 15.063 1.394 1.00 42.12 C ATOM 786 C GLN A 55 1.361 13.941 1.852 1.00 25.43 C ATOM 787 O GLN A 55 2.522 13.907 1.446 1.00 53.21 O ATOM 788 CB GLN A 55 0.326 16.248 2.387 1.00 55.03 C ATOM 789 CG GLN A 55 1.589 16.655 3.166 1.00 42.14 C ATOM 790 CD GLN A 55 1.806 15.785 4.406 1.00 61.52 C ATOM 791 OE1 GLN A 55 1.045 15.828 5.369 1.00 34.51 O ATOM 792 NE2 GLN A 55 2.810 14.930 4.384 1.00 0.01 N ATOM 0 H GLN A 55 -1.626 15.074 1.713 1.00 11.04 H new ATOM 0 HA GLN A 55 0.861 15.432 0.467 1.00 42.12 H new ATOM 0 HB2 GLN A 55 -0.016 17.120 1.830 1.00 55.03 H new ATOM 0 HB3 GLN A 55 -0.450 16.009 3.114 1.00 55.03 H new ATOM 0 HG2 GLN A 55 2.458 16.577 2.513 1.00 42.14 H new ATOM 0 HG3 GLN A 55 1.508 17.700 3.466 1.00 42.14 H new ATOM 0 HE21 GLN A 55 3.437 14.901 3.580 1.00 0.01 H new ATOM 0 HE22 GLN A 55 2.959 14.298 5.171 1.00 0.01 H new ATOM 799 N ASP A 56 0.888 13.018 2.693 1.00 12.12 N ATOM 800 CA ASP A 56 1.728 11.958 3.241 1.00 61.53 C ATOM 801 C ASP A 56 2.020 10.887 2.196 1.00 51.03 C ATOM 802 O ASP A 56 3.046 10.216 2.303 1.00 71.21 O ATOM 803 CB ASP A 56 1.102 11.328 4.494 1.00 10.22 C ATOM 804 CG ASP A 56 1.506 12.021 5.797 1.00 23.54 C ATOM 805 OD1 ASP A 56 2.626 12.576 5.907 1.00 74.52 O ATOM 806 OD2 ASP A 56 0.673 11.998 6.730 1.00 22.22 O ATOM 0 H ASP A 56 -0.081 12.987 3.009 1.00 12.12 H new ATOM 0 HA ASP A 56 2.672 12.419 3.533 1.00 61.53 H new ATOM 0 HB2 ASP A 56 0.016 11.355 4.400 1.00 10.22 H new ATOM 0 HB3 ASP A 56 1.392 10.278 4.546 1.00 10.22 H new ATOM 810 N ALA A 57 1.190 10.759 1.151 1.00 34.52 N ATOM 811 CA ALA A 57 1.480 9.816 0.086 1.00 2.41 C ATOM 812 C ALA A 57 2.735 10.315 -0.621 1.00 21.11 C ATOM 813 O ALA A 57 3.746 9.613 -0.694 1.00 52.40 O ATOM 814 CB ALA A 57 0.297 9.630 -0.872 1.00 24.34 C ATOM 0 H ALA A 57 0.329 11.292 1.030 1.00 34.52 H new ATOM 0 HA ALA A 57 1.652 8.822 0.498 1.00 2.41 H new ATOM 0 HB1 ALA A 57 0.567 8.915 -1.649 1.00 24.34 H new ATOM 0 HB2 ALA A 57 -0.564 9.256 -0.318 1.00 24.34 H new ATOM 0 HB3 ALA A 57 0.046 10.587 -1.330 1.00 24.34 H new ATOM 820 N THR A 58 2.701 11.558 -1.086 1.00 64.54 N ATOM 821 CA THR A 58 3.804 12.171 -1.784 1.00 64.24 C ATOM 822 C THR A 58 5.045 12.256 -0.889 1.00 42.33 C ATOM 823 O THR A 58 6.158 12.083 -1.379 1.00 44.13 O ATOM 824 CB THR A 58 3.325 13.543 -2.252 1.00 3.05 C ATOM 825 OG1 THR A 58 2.051 13.446 -2.870 1.00 42.43 O ATOM 826 CG2 THR A 58 4.296 14.138 -3.253 1.00 34.33 C ATOM 0 H THR A 58 1.891 12.170 -0.983 1.00 64.54 H new ATOM 0 HA THR A 58 4.107 11.574 -2.644 1.00 64.24 H new ATOM 0 HB THR A 58 3.262 14.184 -1.372 1.00 3.05 H new ATOM 0 HG1 THR A 58 1.760 14.335 -3.162 1.00 42.43 H new ATOM 0 HG21 THR A 58 3.935 15.115 -3.573 1.00 34.33 H new ATOM 0 HG22 THR A 58 5.276 14.247 -2.789 1.00 34.33 H new ATOM 0 HG23 THR A 58 4.376 13.480 -4.118 1.00 34.33 H new ATOM 834 N ARG A 59 4.877 12.443 0.424 1.00 44.31 N ATOM 835 CA ARG A 59 5.986 12.484 1.367 1.00 44.24 C ATOM 836 C ARG A 59 6.777 11.190 1.275 1.00 31.24 C ATOM 837 O ARG A 59 7.976 11.229 1.005 1.00 65.52 O ATOM 838 CB ARG A 59 5.420 12.705 2.768 1.00 11.33 C ATOM 839 CG ARG A 59 6.468 12.804 3.887 1.00 34.52 C ATOM 840 CD ARG A 59 5.666 12.904 5.185 1.00 64.50 C ATOM 841 NE ARG A 59 6.475 12.946 6.410 1.00 21.55 N ATOM 842 CZ ARG A 59 5.936 13.150 7.622 1.00 24.21 C ATOM 843 NH1 ARG A 59 4.613 13.211 7.768 1.00 12.35 N ATOM 844 NH2 ARG A 59 6.718 13.289 8.686 1.00 15.05 N ATOM 0 H ARG A 59 3.963 12.570 0.858 1.00 44.31 H new ATOM 0 HA ARG A 59 6.667 13.303 1.134 1.00 44.24 H new ATOM 0 HB2 ARG A 59 4.828 13.621 2.764 1.00 11.33 H new ATOM 0 HB3 ARG A 59 4.739 11.887 3.001 1.00 11.33 H new ATOM 0 HG2 ARG A 59 7.120 11.930 3.894 1.00 34.52 H new ATOM 0 HG3 ARG A 59 7.107 13.677 3.751 1.00 34.52 H new ATOM 0 HD2 ARG A 59 5.047 13.801 5.145 1.00 64.50 H new ATOM 0 HD3 ARG A 59 4.989 12.052 5.243 1.00 64.50 H new ATOM 0 HE ARG A 59 7.484 12.815 6.337 1.00 21.55 H new ATOM 0 HH11 ARG A 59 4.005 13.102 6.956 1.00 12.35 H new ATOM 0 HH12 ARG A 59 4.208 13.366 8.691 1.00 12.35 H new ATOM 0 HH21 ARG A 59 7.732 13.241 8.584 1.00 15.05 H new ATOM 0 HH22 ARG A 59 6.305 13.444 9.606 1.00 15.05 H new ATOM 855 N TRP A 60 6.103 10.055 1.481 1.00 65.31 N ATOM 856 CA TRP A 60 6.752 8.755 1.463 1.00 44.14 C ATOM 857 C TRP A 60 7.399 8.499 0.100 1.00 24.32 C ATOM 858 O TRP A 60 8.541 8.045 0.039 1.00 31.23 O ATOM 859 CB TRP A 60 5.738 7.665 1.801 1.00 64.32 C ATOM 860 CG TRP A 60 6.318 6.351 2.232 1.00 74.50 C ATOM 861 CD1 TRP A 60 7.340 6.178 3.101 1.00 5.05 C ATOM 862 CD2 TRP A 60 5.884 5.007 1.860 1.00 63.12 C ATOM 863 NE1 TRP A 60 7.568 4.832 3.298 1.00 61.32 N ATOM 864 CE2 TRP A 60 6.670 4.063 2.583 1.00 22.23 C ATOM 865 CE3 TRP A 60 4.862 4.494 1.031 1.00 70.54 C ATOM 866 CZ2 TRP A 60 6.417 2.686 2.507 1.00 54.22 C ATOM 867 CZ3 TRP A 60 4.583 3.117 0.960 1.00 43.40 C ATOM 868 CH2 TRP A 60 5.363 2.219 1.705 1.00 5.44 C ATOM 0 H TRP A 60 5.100 10.018 1.663 1.00 65.31 H new ATOM 0 HA TRP A 60 7.540 8.740 2.216 1.00 44.14 H new ATOM 0 HB2 TRP A 60 5.088 8.032 2.595 1.00 64.32 H new ATOM 0 HB3 TRP A 60 5.109 7.495 0.927 1.00 64.32 H new ATOM 0 HD1 TRP A 60 7.895 6.976 3.571 1.00 5.05 H new ATOM 0 HE1 TRP A 60 8.304 4.453 3.894 1.00 61.32 H new ATOM 0 HE3 TRP A 60 4.278 5.179 0.434 1.00 70.54 H new ATOM 0 HZ2 TRP A 60 7.028 1.989 3.061 1.00 54.22 H new ATOM 0 HZ3 TRP A 60 3.777 2.755 0.339 1.00 43.40 H new ATOM 0 HH2 TRP A 60 5.151 1.161 1.661 1.00 5.44 H new ATOM 878 N MET A 61 6.675 8.808 -0.982 1.00 73.21 N ATOM 879 CA MET A 61 7.100 8.627 -2.358 1.00 14.43 C ATOM 880 C MET A 61 8.407 9.371 -2.616 1.00 72.52 C ATOM 881 O MET A 61 9.395 8.745 -2.999 1.00 2.22 O ATOM 882 CB MET A 61 5.981 9.120 -3.289 1.00 12.25 C ATOM 883 CG MET A 61 4.709 8.266 -3.210 1.00 43.11 C ATOM 884 SD MET A 61 4.548 6.899 -4.383 1.00 64.11 S ATOM 885 CE MET A 61 4.739 7.802 -5.935 1.00 5.22 C ATOM 0 H MET A 61 5.739 9.207 -0.910 1.00 73.21 H new ATOM 0 HA MET A 61 7.286 7.571 -2.554 1.00 14.43 H new ATOM 0 HB2 MET A 61 5.735 10.151 -3.036 1.00 12.25 H new ATOM 0 HB3 MET A 61 6.346 9.122 -4.316 1.00 12.25 H new ATOM 0 HG2 MET A 61 4.642 7.855 -2.203 1.00 43.11 H new ATOM 0 HG3 MET A 61 3.852 8.926 -3.343 1.00 43.11 H new ATOM 0 HE1 MET A 61 3.899 7.577 -6.592 1.00 5.22 H new ATOM 0 HE2 MET A 61 4.765 8.873 -5.732 1.00 5.22 H new ATOM 0 HE3 MET A 61 5.669 7.502 -6.418 1.00 5.22 H new ATOM 893 N GLU A 62 8.425 10.689 -2.422 1.00 70.12 N ATOM 894 CA GLU A 62 9.548 11.539 -2.799 1.00 70.14 C ATOM 895 C GLU A 62 10.751 11.327 -1.886 1.00 12.23 C ATOM 896 O GLU A 62 11.882 11.548 -2.318 1.00 64.10 O ATOM 897 CB GLU A 62 9.143 13.019 -2.761 1.00 50.03 C ATOM 898 CG GLU A 62 8.080 13.336 -3.817 1.00 30.22 C ATOM 899 CD GLU A 62 7.873 14.839 -4.000 1.00 30.55 C ATOM 900 OE1 GLU A 62 7.821 15.582 -2.995 1.00 53.22 O ATOM 901 OE2 GLU A 62 7.724 15.287 -5.159 1.00 21.14 O ATOM 0 H GLU A 62 7.652 11.199 -1.995 1.00 70.12 H new ATOM 0 HA GLU A 62 9.830 11.260 -3.814 1.00 70.14 H new ATOM 0 HB2 GLU A 62 8.760 13.267 -1.771 1.00 50.03 H new ATOM 0 HB3 GLU A 62 10.021 13.642 -2.928 1.00 50.03 H new ATOM 0 HG2 GLU A 62 8.374 12.894 -4.769 1.00 30.22 H new ATOM 0 HG3 GLU A 62 7.136 12.874 -3.529 1.00 30.22 H new ATOM 906 N ALA A 63 10.530 10.882 -0.647 1.00 41.22 N ATOM 907 CA ALA A 63 11.615 10.570 0.288 1.00 13.51 C ATOM 908 C ALA A 63 12.320 9.278 -0.107 1.00 2.41 C ATOM 909 O ALA A 63 13.477 9.064 0.258 1.00 31.24 O ATOM 910 CB ALA A 63 11.072 10.464 1.716 1.00 31.24 C ATOM 0 H ALA A 63 9.597 10.728 -0.264 1.00 41.22 H new ATOM 0 HA ALA A 63 12.343 11.381 0.247 1.00 13.51 H new ATOM 0 HB1 ALA A 63 11.889 10.232 2.400 1.00 31.24 H new ATOM 0 HB2 ALA A 63 10.617 11.412 2.003 1.00 31.24 H new ATOM 0 HB3 ALA A 63 10.324 9.673 1.763 1.00 31.24 H new ATOM 916 N ASN A 64 11.624 8.434 -0.871 1.00 5.53 N ATOM 917 CA ASN A 64 12.121 7.158 -1.345 1.00 33.32 C ATOM 918 C ASN A 64 12.390 7.178 -2.836 1.00 41.31 C ATOM 919 O ASN A 64 12.809 6.159 -3.381 1.00 52.24 O ATOM 920 CB ASN A 64 11.161 6.042 -0.933 1.00 62.00 C ATOM 921 CG ASN A 64 11.349 5.821 0.551 1.00 33.01 C ATOM 922 OD1 ASN A 64 10.453 6.317 1.379 1.00 44.32 O flip ATOM 923 ND2 ASN A 64 12.348 5.242 0.959 1.00 14.52 N flip ATOM 0 H ASN A 64 10.673 8.633 -1.181 1.00 5.53 H new ATOM 0 HA ASN A 64 13.084 6.959 -0.875 1.00 33.32 H new ATOM 0 HB2 ASN A 64 10.130 6.319 -1.154 1.00 62.00 H new ATOM 0 HB3 ASN A 64 11.371 5.128 -1.488 1.00 62.00 H new ATOM 0 HD21 ASN A 64 13.027 4.867 0.296 1.00 14.52 H new ATOM 0 HD22 ASN A 64 12.501 5.135 1.962 1.00 14.52 H new ATOM 929 N GLN A 65 12.196 8.321 -3.503 1.00 71.22 N ATOM 930 CA GLN A 65 12.493 8.504 -4.918 1.00 53.53 C ATOM 931 C GLN A 65 11.647 7.552 -5.776 1.00 3.53 C ATOM 932 O GLN A 65 12.016 7.264 -6.913 1.00 41.10 O ATOM 933 CB GLN A 65 14.005 8.340 -5.173 1.00 1.32 C ATOM 934 CG GLN A 65 14.897 9.172 -4.237 1.00 61.31 C ATOM 935 CD GLN A 65 16.315 8.627 -4.263 1.00 24.34 C ATOM 936 OE1 GLN A 65 16.928 8.520 -5.322 1.00 31.03 O ATOM 937 NE2 GLN A 65 16.854 8.249 -3.116 1.00 12.32 N ATOM 0 H GLN A 65 11.820 9.159 -3.060 1.00 71.22 H new ATOM 0 HA GLN A 65 12.224 9.519 -5.212 1.00 53.53 H new ATOM 0 HB2 GLN A 65 14.268 7.288 -5.066 1.00 1.32 H new ATOM 0 HB3 GLN A 65 14.220 8.619 -6.204 1.00 1.32 H new ATOM 0 HG2 GLN A 65 14.893 10.217 -4.548 1.00 61.31 H new ATOM 0 HG3 GLN A 65 14.504 9.141 -3.221 1.00 61.31 H new ATOM 0 HE21 GLN A 65 16.327 8.347 -2.248 1.00 12.32 H new ATOM 0 HE22 GLN A 65 17.797 7.860 -3.099 1.00 12.32 H new ATOM 944 N HIS A 66 10.517 7.075 -5.240 1.00 42.13 N ATOM 945 CA HIS A 66 9.603 6.113 -5.859 1.00 34.11 C ATOM 946 C HIS A 66 10.142 4.663 -5.907 1.00 10.25 C ATOM 947 O HIS A 66 9.590 3.828 -6.628 1.00 51.21 O ATOM 948 CB HIS A 66 9.093 6.585 -7.238 1.00 53.01 C ATOM 949 CG HIS A 66 8.621 8.020 -7.341 1.00 30.42 C ATOM 950 ND1 HIS A 66 8.475 8.715 -8.517 1.00 11.33 N ATOM 951 CD2 HIS A 66 8.264 8.863 -6.324 1.00 32.13 C ATOM 952 CE1 HIS A 66 8.032 9.947 -8.219 1.00 1.01 C ATOM 953 NE2 HIS A 66 7.863 10.078 -6.889 1.00 74.31 N ATOM 0 H HIS A 66 10.201 7.366 -4.315 1.00 42.13 H new ATOM 0 HA HIS A 66 8.744 6.079 -5.189 1.00 34.11 H new ATOM 0 HB2 HIS A 66 9.893 6.438 -7.964 1.00 53.01 H new ATOM 0 HB3 HIS A 66 8.270 5.935 -7.536 1.00 53.01 H new ATOM 0 HD2 HIS A 66 8.288 8.631 -5.270 1.00 32.13 H new ATOM 0 HE1 HIS A 66 7.838 10.724 -8.944 1.00 1.01 H new ATOM 0 HE2 HIS A 66 7.513 10.898 -6.394 1.00 74.31 H new ATOM 960 N SER A 67 11.171 4.305 -5.132 1.00 72.30 N ATOM 961 CA SER A 67 11.715 2.953 -5.090 1.00 4.13 C ATOM 962 C SER A 67 11.983 2.557 -3.633 1.00 52.11 C ATOM 963 O SER A 67 12.602 3.309 -2.882 1.00 64.12 O ATOM 964 CB SER A 67 12.993 2.869 -5.947 1.00 32.02 C ATOM 965 OG SER A 67 13.670 4.097 -6.155 1.00 4.53 O ATOM 0 H SER A 67 11.651 4.956 -4.511 1.00 72.30 H new ATOM 0 HA SER A 67 10.994 2.250 -5.507 1.00 4.13 H new ATOM 0 HB2 SER A 67 13.682 2.170 -5.473 1.00 32.02 H new ATOM 0 HB3 SER A 67 12.731 2.449 -6.918 1.00 32.02 H new ATOM 0 HG SER A 67 14.466 3.943 -6.706 1.00 4.53 H new ATOM 970 N LEU A 68 11.543 1.368 -3.220 1.00 70.02 N ATOM 971 CA LEU A 68 11.832 0.783 -1.902 1.00 12.51 C ATOM 972 C LEU A 68 12.456 -0.598 -2.056 1.00 74.14 C ATOM 973 O LEU A 68 12.500 -1.154 -3.160 1.00 10.25 O ATOM 974 CB LEU A 68 10.567 0.629 -1.051 1.00 10.52 C ATOM 975 CG LEU A 68 9.900 1.932 -0.589 1.00 41.32 C ATOM 976 CD1 LEU A 68 8.494 1.649 -0.057 1.00 11.24 C ATOM 977 CD2 LEU A 68 10.707 2.591 0.522 1.00 5.34 C ATOM 0 H LEU A 68 10.961 0.767 -3.804 1.00 70.02 H new ATOM 0 HA LEU A 68 12.520 1.467 -1.406 1.00 12.51 H new ATOM 0 HB2 LEU A 68 9.838 0.054 -1.622 1.00 10.52 H new ATOM 0 HB3 LEU A 68 10.817 0.040 -0.168 1.00 10.52 H new ATOM 0 HG LEU A 68 9.850 2.599 -1.450 1.00 41.32 H new ATOM 0 HD11 LEU A 68 8.033 2.582 0.267 1.00 11.24 H new ATOM 0 HD12 LEU A 68 7.890 1.201 -0.846 1.00 11.24 H new ATOM 0 HD13 LEU A 68 8.556 0.962 0.787 1.00 11.24 H new ATOM 0 HD21 LEU A 68 10.214 3.512 0.832 1.00 5.34 H new ATOM 0 HD22 LEU A 68 10.777 1.913 1.372 1.00 5.34 H new ATOM 0 HD23 LEU A 68 11.708 2.820 0.157 1.00 5.34 H new ATOM 988 N ASN A 69 12.911 -1.175 -0.945 1.00 71.22 N ATOM 989 CA ASN A 69 13.679 -2.408 -0.941 1.00 14.41 C ATOM 990 C ASN A 69 13.317 -3.195 0.302 1.00 63.00 C ATOM 991 O ASN A 69 13.655 -2.792 1.414 1.00 23.25 O ATOM 992 CB ASN A 69 15.151 -2.041 -0.962 1.00 31.04 C ATOM 993 CG ASN A 69 16.058 -3.263 -0.941 1.00 54.33 C ATOM 994 OD1 ASN A 69 16.871 -3.407 -0.034 1.00 70.43 O ATOM 995 ND2 ASN A 69 15.969 -4.145 -1.917 1.00 2.21 N ATOM 0 H ASN A 69 12.752 -0.791 -0.014 1.00 71.22 H new ATOM 0 HA ASN A 69 13.460 -3.027 -1.811 1.00 14.41 H new ATOM 0 HB2 ASN A 69 15.362 -1.451 -1.854 1.00 31.04 H new ATOM 0 HB3 ASN A 69 15.377 -1.410 -0.102 1.00 31.04 H new ATOM 0 HD21 ASN A 69 16.581 -4.961 -1.925 1.00 2.21 H new ATOM 0 HD22 ASN A 69 15.288 -4.012 -2.664 1.00 2.21 H new ATOM 1001 N ILE A 70 12.528 -4.249 0.133 1.00 74.32 N ATOM 1002 CA ILE A 70 11.803 -4.906 1.207 1.00 11.43 C ATOM 1003 C ILE A 70 12.134 -6.382 1.078 1.00 24.13 C ATOM 1004 O ILE A 70 11.874 -6.982 0.034 1.00 43.23 O ATOM 1005 CB ILE A 70 10.312 -4.548 1.051 1.00 64.30 C ATOM 1006 CG1 ILE A 70 10.086 -3.054 1.364 1.00 51.22 C ATOM 1007 CG2 ILE A 70 9.380 -5.363 1.944 1.00 31.42 C ATOM 1008 CD1 ILE A 70 9.293 -2.345 0.272 1.00 13.44 C ATOM 0 H ILE A 70 12.373 -4.679 -0.779 1.00 74.32 H new ATOM 0 HA ILE A 70 12.076 -4.593 2.215 1.00 11.43 H new ATOM 0 HB ILE A 70 10.067 -4.783 0.015 1.00 64.30 H new ATOM 0 HG12 ILE A 70 9.557 -2.960 2.312 1.00 51.22 H new ATOM 0 HG13 ILE A 70 11.051 -2.561 1.487 1.00 51.22 H new ATOM 0 HG21 ILE A 70 8.349 -5.051 1.775 1.00 31.42 H new ATOM 0 HG22 ILE A 70 9.482 -6.422 1.706 1.00 31.42 H new ATOM 0 HG23 ILE A 70 9.642 -5.199 2.989 1.00 31.42 H new ATOM 0 HD11 ILE A 70 9.161 -1.297 0.540 1.00 13.44 H new ATOM 0 HD12 ILE A 70 9.833 -2.413 -0.672 1.00 13.44 H new ATOM 0 HD13 ILE A 70 8.317 -2.818 0.166 1.00 13.44 H new ATOM 1019 N LEU A 71 12.802 -6.938 2.096 1.00 1.45 N ATOM 1020 CA LEU A 71 13.356 -8.293 2.102 1.00 74.12 C ATOM 1021 C LEU A 71 14.310 -8.492 0.911 1.00 30.15 C ATOM 1022 O LEU A 71 14.488 -9.620 0.446 1.00 12.33 O ATOM 1023 CB LEU A 71 12.232 -9.351 2.145 1.00 33.25 C ATOM 1024 CG LEU A 71 11.401 -9.469 3.436 1.00 73.34 C ATOM 1025 CD1 LEU A 71 10.687 -8.186 3.867 1.00 65.30 C ATOM 1026 CD2 LEU A 71 10.328 -10.547 3.207 1.00 12.42 C ATOM 0 H LEU A 71 12.976 -6.438 2.967 1.00 1.45 H new ATOM 0 HA LEU A 71 13.944 -8.427 3.010 1.00 74.12 H new ATOM 0 HB2 LEU A 71 11.546 -9.143 1.324 1.00 33.25 H new ATOM 0 HB3 LEU A 71 12.681 -10.324 1.947 1.00 33.25 H new ATOM 0 HG LEU A 71 12.105 -9.711 4.232 1.00 73.34 H new ATOM 0 HD11 LEU A 71 10.129 -8.371 4.785 1.00 65.30 H new ATOM 0 HD12 LEU A 71 11.423 -7.401 4.041 1.00 65.30 H new ATOM 0 HD13 LEU A 71 9.999 -7.871 3.082 1.00 65.30 H new ATOM 0 HD21 LEU A 71 9.722 -10.654 4.107 1.00 12.42 H new ATOM 0 HD22 LEU A 71 9.691 -10.255 2.372 1.00 12.42 H new ATOM 0 HD23 LEU A 71 10.810 -11.498 2.979 1.00 12.42 H new ATOM 1037 N GLY A 72 14.892 -7.402 0.396 1.00 61.33 N ATOM 1038 CA GLY A 72 15.826 -7.417 -0.714 1.00 3.11 C ATOM 1039 C GLY A 72 15.167 -7.271 -2.086 1.00 44.41 C ATOM 1040 O GLY A 72 15.862 -7.006 -3.069 1.00 12.32 O ATOM 0 H GLY A 72 14.715 -6.464 0.757 1.00 61.33 H new ATOM 0 HA2 GLY A 72 16.545 -6.609 -0.581 1.00 3.11 H new ATOM 0 HA3 GLY A 72 16.387 -8.351 -0.690 1.00 3.11 H new ATOM 1044 N GLN A 73 13.842 -7.396 -2.188 1.00 14.54 N ATOM 1045 CA GLN A 73 13.132 -7.245 -3.450 1.00 65.42 C ATOM 1046 C GLN A 73 13.133 -5.774 -3.830 1.00 62.01 C ATOM 1047 O GLN A 73 12.896 -4.908 -2.987 1.00 45.52 O ATOM 1048 CB GLN A 73 11.691 -7.756 -3.319 1.00 54.20 C ATOM 1049 CG GLN A 73 11.536 -9.246 -3.657 1.00 25.33 C ATOM 1050 CD GLN A 73 12.515 -10.126 -2.885 1.00 54.22 C ATOM 1051 OE1 GLN A 73 12.361 -10.257 -1.579 1.00 23.41 O flip ATOM 1052 NE2 GLN A 73 13.437 -10.686 -3.465 1.00 24.21 N flip ATOM 0 H GLN A 73 13.235 -7.605 -1.395 1.00 14.54 H new ATOM 0 HA GLN A 73 13.629 -7.831 -4.224 1.00 65.42 H new ATOM 0 HB2 GLN A 73 11.345 -7.585 -2.300 1.00 54.20 H new ATOM 0 HB3 GLN A 73 11.046 -7.173 -3.977 1.00 54.20 H new ATOM 0 HG2 GLN A 73 10.516 -9.561 -3.435 1.00 25.33 H new ATOM 0 HG3 GLN A 73 11.689 -9.390 -4.727 1.00 25.33 H new ATOM 0 HE21 GLN A 73 13.546 -10.578 -4.473 1.00 24.21 H new ATOM 0 HE22 GLN A 73 14.096 -11.261 -2.940 1.00 24.21 H new ATOM 1059 N LYS A 74 13.344 -5.501 -5.115 1.00 33.15 N ATOM 1060 CA LYS A 74 13.184 -4.171 -5.684 1.00 64.30 C ATOM 1061 C LYS A 74 11.693 -3.925 -5.797 1.00 2.25 C ATOM 1062 O LYS A 74 11.038 -4.581 -6.603 1.00 51.13 O ATOM 1063 CB LYS A 74 13.932 -4.082 -7.030 1.00 42.50 C ATOM 1064 CG LYS A 74 14.096 -2.646 -7.560 1.00 54.31 C ATOM 1065 CD LYS A 74 13.065 -2.189 -8.607 1.00 51.44 C ATOM 1066 CE LYS A 74 11.874 -1.554 -7.895 1.00 73.32 C ATOM 1067 NZ LYS A 74 11.816 -0.085 -8.003 1.00 32.03 N ATOM 0 H LYS A 74 13.633 -6.205 -5.794 1.00 33.15 H new ATOM 0 HA LYS A 74 13.621 -3.392 -5.059 1.00 64.30 H new ATOM 0 HB2 LYS A 74 14.918 -4.532 -6.916 1.00 42.50 H new ATOM 0 HB3 LYS A 74 13.396 -4.673 -7.772 1.00 42.50 H new ATOM 0 HG2 LYS A 74 14.052 -1.961 -6.713 1.00 54.31 H new ATOM 0 HG3 LYS A 74 15.091 -2.552 -7.995 1.00 54.31 H new ATOM 0 HD2 LYS A 74 13.518 -1.473 -9.293 1.00 51.44 H new ATOM 0 HD3 LYS A 74 12.736 -3.038 -9.205 1.00 51.44 H new ATOM 0 HE2 LYS A 74 10.955 -1.973 -8.304 1.00 73.32 H new ATOM 0 HE3 LYS A 74 11.907 -1.828 -6.841 1.00 73.32 H new ATOM 0 HZ1 LYS A 74 11.268 0.300 -7.207 1.00 32.03 H new ATOM 0 HZ2 LYS A 74 12.781 0.303 -7.979 1.00 32.03 H new ATOM 0 HZ3 LYS A 74 11.358 0.179 -8.899 1.00 32.03 H new ATOM 1077 N VAL A 75 11.158 -3.004 -5.004 1.00 73.30 N ATOM 1078 CA VAL A 75 9.737 -2.674 -4.966 1.00 72.43 C ATOM 1079 C VAL A 75 9.539 -1.332 -5.667 1.00 22.14 C ATOM 1080 O VAL A 75 10.380 -0.431 -5.558 1.00 71.01 O ATOM 1081 CB VAL A 75 9.253 -2.671 -3.505 1.00 74.33 C ATOM 1082 CG1 VAL A 75 7.776 -2.278 -3.364 1.00 64.32 C ATOM 1083 CG2 VAL A 75 9.444 -4.067 -2.887 1.00 12.43 C ATOM 0 H VAL A 75 11.715 -2.451 -4.352 1.00 73.30 H new ATOM 0 HA VAL A 75 9.137 -3.416 -5.492 1.00 72.43 H new ATOM 0 HB VAL A 75 9.852 -1.924 -2.984 1.00 74.33 H new ATOM 0 HG11 VAL A 75 7.494 -2.294 -2.311 1.00 64.32 H new ATOM 0 HG12 VAL A 75 7.626 -1.275 -3.764 1.00 64.32 H new ATOM 0 HG13 VAL A 75 7.157 -2.985 -3.916 1.00 64.32 H new ATOM 0 HG21 VAL A 75 9.099 -4.057 -1.853 1.00 12.43 H new ATOM 0 HG22 VAL A 75 8.868 -4.798 -3.455 1.00 12.43 H new ATOM 0 HG23 VAL A 75 10.500 -4.336 -2.915 1.00 12.43 H new ATOM 1093 N SER A 76 8.447 -1.211 -6.415 1.00 74.52 N ATOM 1094 CA SER A 76 8.081 0.006 -7.124 1.00 2.35 C ATOM 1095 C SER A 76 6.762 0.512 -6.547 1.00 43.41 C ATOM 1096 O SER A 76 5.734 -0.157 -6.661 1.00 34.44 O ATOM 1097 CB SER A 76 7.976 -0.257 -8.629 1.00 70.20 C ATOM 1098 OG SER A 76 9.114 -0.930 -9.139 1.00 25.35 O ATOM 0 H SER A 76 7.780 -1.972 -6.547 1.00 74.52 H new ATOM 0 HA SER A 76 8.849 0.768 -6.992 1.00 2.35 H new ATOM 0 HB2 SER A 76 7.085 -0.852 -8.830 1.00 70.20 H new ATOM 0 HB3 SER A 76 7.852 0.691 -9.153 1.00 70.20 H new ATOM 0 HG SER A 76 9.003 -1.078 -10.101 1.00 25.35 H new ATOM 1103 N MET A 77 6.792 1.663 -5.879 1.00 25.42 N ATOM 1104 CA MET A 77 5.585 2.376 -5.498 1.00 61.22 C ATOM 1105 C MET A 77 5.056 3.118 -6.712 1.00 10.42 C ATOM 1106 O MET A 77 5.824 3.684 -7.488 1.00 22.12 O ATOM 1107 CB MET A 77 5.804 3.354 -4.337 1.00 31.33 C ATOM 1108 CG MET A 77 7.014 4.275 -4.422 1.00 45.04 C ATOM 1109 SD MET A 77 8.040 4.428 -2.932 1.00 21.12 S ATOM 1110 CE MET A 77 6.809 4.941 -1.703 1.00 13.11 C ATOM 0 H MET A 77 7.655 2.123 -5.589 1.00 25.42 H new ATOM 0 HA MET A 77 4.862 1.641 -5.145 1.00 61.22 H new ATOM 0 HB2 MET A 77 4.913 3.975 -4.245 1.00 31.33 H new ATOM 0 HB3 MET A 77 5.885 2.774 -3.417 1.00 31.33 H new ATOM 0 HG2 MET A 77 7.649 3.926 -5.236 1.00 45.04 H new ATOM 0 HG3 MET A 77 6.664 5.270 -4.696 1.00 45.04 H new ATOM 0 HE1 MET A 77 7.313 5.409 -0.857 1.00 13.11 H new ATOM 0 HE2 MET A 77 6.119 5.654 -2.155 1.00 13.11 H new ATOM 0 HE3 MET A 77 6.254 4.069 -1.357 1.00 13.11 H new ATOM 1118 N HIS A 78 3.738 3.152 -6.841 1.00 52.20 N ATOM 1119 CA HIS A 78 2.986 3.916 -7.819 1.00 71.42 C ATOM 1120 C HIS A 78 1.755 4.419 -7.086 1.00 25.34 C ATOM 1121 O HIS A 78 1.214 3.674 -6.263 1.00 54.34 O ATOM 1122 CB HIS A 78 2.561 2.999 -8.973 1.00 65.33 C ATOM 1123 CG HIS A 78 3.684 2.174 -9.546 1.00 42.10 C ATOM 1124 ND1 HIS A 78 4.538 2.558 -10.554 1.00 3.01 N ATOM 1125 CD2 HIS A 78 4.082 0.939 -9.105 1.00 72.24 C ATOM 1126 CE1 HIS A 78 5.435 1.580 -10.727 1.00 54.12 C ATOM 1127 NE2 HIS A 78 5.157 0.541 -9.913 1.00 52.44 N ATOM 0 H HIS A 78 3.129 2.612 -6.226 1.00 52.20 H new ATOM 0 HA HIS A 78 3.573 4.734 -8.236 1.00 71.42 H new ATOM 0 HB2 HIS A 78 1.775 2.330 -8.621 1.00 65.33 H new ATOM 0 HB3 HIS A 78 2.129 3.608 -9.767 1.00 65.33 H new ATOM 0 HD1 HIS A 78 4.495 3.433 -11.077 1.00 3.01 H new ATOM 0 HD2 HIS A 78 3.650 0.378 -8.289 1.00 72.24 H new ATOM 0 HE1 HIS A 78 6.263 1.617 -11.419 1.00 54.12 H new ATOM 1134 N TYR A 79 1.267 5.625 -7.367 1.00 51.22 N ATOM 1135 CA TYR A 79 -0.008 6.034 -6.827 1.00 74.53 C ATOM 1136 C TYR A 79 -1.117 5.125 -7.371 1.00 51.22 C ATOM 1137 O TYR A 79 -0.973 4.531 -8.446 1.00 62.52 O ATOM 1138 CB TYR A 79 -0.285 7.493 -7.182 1.00 12.43 C ATOM 1139 CG TYR A 79 0.676 8.516 -6.609 1.00 1.12 C ATOM 1140 CD1 TYR A 79 0.775 8.708 -5.215 1.00 42.12 C ATOM 1141 CD2 TYR A 79 1.459 9.297 -7.479 1.00 23.14 C ATOM 1142 CE1 TYR A 79 1.663 9.671 -4.698 1.00 70.40 C ATOM 1143 CE2 TYR A 79 2.364 10.239 -6.966 1.00 72.13 C ATOM 1144 CZ TYR A 79 2.476 10.424 -5.574 1.00 64.23 C ATOM 1145 OH TYR A 79 3.416 11.272 -5.078 1.00 74.51 O ATOM 0 H TYR A 79 1.731 6.318 -7.955 1.00 51.22 H new ATOM 0 HA TYR A 79 0.016 5.944 -5.741 1.00 74.53 H new ATOM 0 HB2 TYR A 79 -0.279 7.588 -8.268 1.00 12.43 H new ATOM 0 HB3 TYR A 79 -1.291 7.742 -6.845 1.00 12.43 H new ATOM 0 HD1 TYR A 79 0.170 8.116 -4.544 1.00 42.12 H new ATOM 0 HD2 TYR A 79 1.363 9.171 -8.547 1.00 23.14 H new ATOM 0 HE1 TYR A 79 1.722 9.834 -3.632 1.00 70.40 H new ATOM 0 HE2 TYR A 79 2.975 10.822 -7.639 1.00 72.13 H new ATOM 0 HH TYR A 79 3.886 11.709 -5.819 1.00 74.51 H new ATOM 1154 N SER A 80 -2.254 5.066 -6.683 1.00 52.31 N ATOM 1155 CA SER A 80 -3.506 4.598 -7.254 1.00 71.42 C ATOM 1156 C SER A 80 -4.661 5.369 -6.610 1.00 34.23 C ATOM 1157 O SER A 80 -4.462 6.482 -6.109 1.00 1.42 O ATOM 1158 CB SER A 80 -3.602 3.066 -7.155 1.00 4.23 C ATOM 1159 OG SER A 80 -4.557 2.600 -8.101 1.00 42.12 O ATOM 0 H SER A 80 -2.329 5.345 -5.705 1.00 52.31 H new ATOM 0 HA SER A 80 -3.560 4.805 -8.323 1.00 71.42 H new ATOM 0 HB2 SER A 80 -2.629 2.614 -7.349 1.00 4.23 H new ATOM 0 HB3 SER A 80 -3.895 2.771 -6.147 1.00 4.23 H new ATOM 0 HG SER A 80 -4.623 1.624 -8.046 1.00 42.12 H new