USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 15 ASN : amide:sc= 0.67 K(o=0.83,f=-7.7) USER MOD Set 1.2: A 22 GLN : amide:sc= -0.0107! C(o=0.83!,f=-7.5!) USER MOD Set 1.3: A 84 ASN : amide:sc= 0.168 K(o=0.83,f=-9.4!) USER MOD Set 2.1: A 52 SER OG : rot 160:sc= 0.582 USER MOD Set 2.2: A 75 TYR OH : rot -148:sc= 0.646 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0 X(o=0.77,f=0.4) USER MOD Set 3.2: A 64 LYS NZ :NH3+ -163:sc= 0.636 (180deg=-0.0154) USER MOD Set 3.3: A 65 ASN : amide:sc= -0.546 K(o=0.77,f=-7.1!) USER MOD Set 3.4: A 67 TYR OH : rot 85:sc= 0.682 USER MOD Single : A 21 TYR OH : rot 0:sc= -0.788 USER MOD Single : A 23 GLN : amide:sc= 0.143 K(o=0.14,f=-4.7!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.0166 X(o=0.017,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00484 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.9!) USER MOD Single : A 40 HIS : no HD1:sc= -0.999 K(o=-1,f=0.13) USER MOD Single : A 43 SER OG : rot 170:sc= 0.00814 USER MOD Single : A 44 ASN : amide:sc= -1.6 K(o=-1.6,f=-9.3!) USER MOD Single : A 47 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A 56 MET CE :methyl -154:sc= -0.304 (180deg=-1.13) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -53:sc= 0.581 USER MOD Single : A 79 THR OG1 : rot 148:sc= 1.23 USER MOD Single : A 85 GLN : amide:sc= 0.795 K(o=0.79,f=-0.32) USER MOD Single : A 87 MET CE :methyl -172:sc= -2.22 (180deg=-2.67) USER MOD Single : A 89 SER OG : rot -67:sc= 1.19 USER MOD Single : A 91 SER OG : rot -140:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -1.459 0.437 -3.567 1.00 1.43 N ATOM 2 CA ASP A 14 -1.011 1.680 -2.980 1.00 63.25 C ATOM 3 C ASP A 14 -1.248 2.892 -3.895 1.00 71.03 C ATOM 4 O ASP A 14 -2.307 3.511 -3.824 1.00 51.32 O ATOM 5 CB ASP A 14 0.440 1.616 -2.406 1.00 33.34 C ATOM 6 CG ASP A 14 1.488 1.142 -3.393 1.00 4.41 C ATOM 7 OD1 ASP A 14 1.886 -0.031 -3.332 1.00 15.40 O ATOM 8 OD2 ASP A 14 1.885 1.927 -4.272 1.00 62.44 O1- ATOM 0 HA ASP A 14 -1.649 1.834 -2.110 1.00 63.25 H new ATOM 0 HB2 ASP A 14 0.719 2.607 -2.048 1.00 33.34 H new ATOM 0 HB3 ASP A 14 0.446 0.951 -1.542 1.00 33.34 H new ATOM 13 N ASN A 15 -0.298 3.234 -4.763 1.00 55.52 N ATOM 14 CA ASN A 15 -0.419 4.438 -5.580 1.00 2.25 C ATOM 15 C ASN A 15 -0.017 4.293 -7.043 1.00 32.50 C ATOM 16 O ASN A 15 0.250 5.294 -7.660 1.00 25.02 O ATOM 17 CB ASN A 15 0.385 5.607 -4.966 1.00 70.53 C ATOM 18 CG ASN A 15 -0.376 6.387 -3.913 1.00 33.52 C ATOM 19 OD1 ASN A 15 -1.071 7.339 -4.232 1.00 63.43 O ATOM 20 ND2 ASN A 15 -0.229 6.019 -2.661 1.00 12.12 N ATOM 0 H ASN A 15 0.557 2.699 -4.918 1.00 55.52 H new ATOM 0 HA ASN A 15 -1.490 4.640 -5.576 1.00 2.25 H new ATOM 0 HB2 ASN A 15 1.300 5.213 -4.523 1.00 70.53 H new ATOM 0 HB3 ASN A 15 0.685 6.288 -5.763 1.00 70.53 H new ATOM 0 HD21 ASN A 15 -0.703 6.534 -1.919 1.00 12.12 H new ATOM 0 HD22 ASN A 15 0.359 5.218 -2.430 1.00 12.12 H new ATOM 27 N ARG A 16 -0.001 3.088 -7.641 1.00 62.11 N ATOM 28 CA ARG A 16 0.369 3.066 -9.082 1.00 22.24 C ATOM 29 C ARG A 16 -0.644 3.773 -9.999 1.00 70.34 C ATOM 30 O ARG A 16 -0.390 4.872 -10.455 1.00 22.21 O ATOM 31 CB ARG A 16 0.935 1.745 -9.677 1.00 15.21 C ATOM 32 CG ARG A 16 0.079 0.522 -9.584 1.00 73.20 C ATOM 33 CD ARG A 16 0.079 -0.049 -8.197 1.00 51.34 C ATOM 34 NE ARG A 16 1.447 -0.283 -7.699 1.00 50.44 N ATOM 35 CZ ARG A 16 1.727 -0.564 -6.423 1.00 14.30 C ATOM 36 NH1 ARG A 16 0.786 -0.995 -5.630 1.00 73.34 N1+ ATOM 37 NH2 ARG A 16 2.966 -0.488 -5.962 1.00 74.40 N ATOM 0 H ARG A 16 -0.216 2.191 -7.207 1.00 62.11 H new ATOM 0 HA ARG A 16 1.266 3.685 -9.065 1.00 22.24 H new ATOM 0 HB2 ARG A 16 1.159 1.919 -10.729 1.00 15.21 H new ATOM 0 HB3 ARG A 16 1.882 1.531 -9.181 1.00 15.21 H new ATOM 0 HG2 ARG A 16 -0.942 0.769 -9.876 1.00 73.20 H new ATOM 0 HG3 ARG A 16 0.439 -0.229 -10.287 1.00 73.20 H new ATOM 0 HD2 ARG A 16 -0.441 0.633 -7.524 1.00 51.34 H new ATOM 0 HD3 ARG A 16 -0.475 -0.988 -8.191 1.00 51.34 H new ATOM 0 HE ARG A 16 2.219 -0.228 -8.363 1.00 50.44 H new ATOM 0 HH11 ARG A 16 -0.163 -1.117 -5.984 1.00 73.34 H new ATOM 0 HH12 ARG A 16 0.999 -1.210 -4.656 1.00 73.34 H new ATOM 0 HH21 ARG A 16 3.726 -0.211 -6.584 1.00 74.40 H new ATOM 0 HH22 ARG A 16 3.161 -0.706 -4.985 1.00 74.40 H new ATOM 51 N HIS A 17 -1.785 3.175 -10.262 1.00 3.13 N ATOM 52 CA HIS A 17 -2.821 3.898 -11.008 1.00 61.11 C ATOM 53 C HIS A 17 -3.554 4.856 -10.084 1.00 72.43 C ATOM 54 O HIS A 17 -4.125 5.853 -10.508 1.00 54.51 O ATOM 55 CB HIS A 17 -3.798 2.965 -11.721 1.00 43.53 C ATOM 56 CG HIS A 17 -3.229 2.266 -12.914 1.00 43.04 C ATOM 57 ND1 HIS A 17 -3.451 2.674 -14.208 1.00 55.32 N ATOM 58 CD2 HIS A 17 -2.451 1.161 -12.998 1.00 2.11 C ATOM 59 CE1 HIS A 17 -2.818 1.826 -15.022 1.00 74.34 C ATOM 60 NE2 HIS A 17 -2.194 0.886 -14.334 1.00 11.23 N ATOM 0 H HIS A 17 -2.026 2.223 -9.987 1.00 3.13 H new ATOM 0 HA HIS A 17 -2.320 4.468 -11.791 1.00 61.11 H new ATOM 0 HB2 HIS A 17 -4.150 2.217 -11.011 1.00 43.53 H new ATOM 0 HB3 HIS A 17 -4.668 3.542 -12.034 1.00 43.53 H new ATOM 0 HD2 HIS A 17 -2.088 0.585 -12.159 1.00 2.11 H new ATOM 0 HE1 HIS A 17 -2.816 1.899 -16.100 1.00 74.34 H new ATOM 0 HE2 HIS A 17 -1.638 0.117 -14.708 1.00 11.23 H new ATOM 68 N ALA A 18 -3.473 4.550 -8.805 1.00 72.33 N ATOM 69 CA ALA A 18 -4.140 5.290 -7.754 1.00 3.31 C ATOM 70 C ALA A 18 -3.543 6.675 -7.545 1.00 4.23 C ATOM 71 O ALA A 18 -4.126 7.496 -6.874 1.00 44.42 O ATOM 72 CB ALA A 18 -4.224 4.486 -6.476 1.00 74.44 C ATOM 0 H ALA A 18 -2.928 3.760 -8.460 1.00 72.33 H new ATOM 0 HA ALA A 18 -5.165 5.461 -8.084 1.00 3.31 H new ATOM 0 HB1 ALA A 18 -4.730 5.073 -5.710 1.00 74.44 H new ATOM 0 HB2 ALA A 18 -4.783 3.569 -6.659 1.00 74.44 H new ATOM 0 HB3 ALA A 18 -3.219 4.236 -6.137 1.00 74.44 H new ATOM 78 N ALA A 19 -2.339 6.910 -8.076 1.00 43.52 N ATOM 79 CA ALA A 19 -1.731 8.248 -8.038 1.00 1.51 C ATOM 80 C ALA A 19 -2.678 9.279 -8.675 1.00 33.02 C ATOM 81 O ALA A 19 -2.707 10.448 -8.280 1.00 62.01 O ATOM 82 CB ALA A 19 -0.395 8.249 -8.765 1.00 13.14 C ATOM 0 H ALA A 19 -1.769 6.199 -8.534 1.00 43.52 H new ATOM 0 HA ALA A 19 -1.560 8.519 -6.996 1.00 1.51 H new ATOM 0 HB1 ALA A 19 0.040 9.248 -8.726 1.00 13.14 H new ATOM 0 HB2 ALA A 19 0.281 7.540 -8.286 1.00 13.14 H new ATOM 0 HB3 ALA A 19 -0.546 7.959 -9.805 1.00 13.14 H new ATOM 88 N ASP A 20 -3.480 8.812 -9.641 1.00 10.32 N ATOM 89 CA ASP A 20 -4.492 9.640 -10.304 1.00 13.23 C ATOM 90 C ASP A 20 -5.563 10.038 -9.294 1.00 42.22 C ATOM 91 O ASP A 20 -6.038 11.165 -9.294 1.00 73.13 O ATOM 92 CB ASP A 20 -5.117 8.879 -11.488 1.00 72.51 C ATOM 93 CG ASP A 20 -6.229 9.638 -12.209 1.00 34.21 C ATOM 94 OD1 ASP A 20 -7.406 9.353 -11.966 1.00 73.12 O ATOM 95 OD2 ASP A 20 -5.944 10.505 -13.070 1.00 3.21 O1- ATOM 0 H ASP A 20 -3.445 7.852 -9.983 1.00 10.32 H new ATOM 0 HA ASP A 20 -4.020 10.541 -10.695 1.00 13.23 H new ATOM 0 HB2 ASP A 20 -4.332 8.640 -12.206 1.00 72.51 H new ATOM 0 HB3 ASP A 20 -5.516 7.932 -11.125 1.00 72.51 H new ATOM 100 N TYR A 21 -5.856 9.130 -8.357 1.00 34.13 N ATOM 101 CA TYR A 21 -6.844 9.375 -7.312 1.00 65.32 C ATOM 102 C TYR A 21 -6.401 10.527 -6.423 1.00 70.22 C ATOM 103 O TYR A 21 -7.220 11.271 -5.898 1.00 25.02 O ATOM 104 CB TYR A 21 -7.107 8.120 -6.450 1.00 25.21 C ATOM 105 CG TYR A 21 -8.103 8.376 -5.346 1.00 11.30 C ATOM 106 CD1 TYR A 21 -9.442 8.465 -5.630 1.00 12.43 C ATOM 107 CD2 TYR A 21 -7.695 8.574 -4.030 1.00 11.21 C ATOM 108 CE1 TYR A 21 -10.356 8.746 -4.653 1.00 51.21 C ATOM 109 CE2 TYR A 21 -8.609 8.848 -3.039 1.00 1.22 C ATOM 110 CZ TYR A 21 -9.942 8.937 -3.358 1.00 14.54 C ATOM 111 OH TYR A 21 -10.869 9.229 -2.384 1.00 62.33 O ATOM 0 H TYR A 21 -5.416 8.211 -8.305 1.00 34.13 H new ATOM 0 HA TYR A 21 -7.778 9.636 -7.810 1.00 65.32 H new ATOM 0 HB2 TYR A 21 -7.475 7.316 -7.087 1.00 25.21 H new ATOM 0 HB3 TYR A 21 -6.168 7.778 -6.015 1.00 25.21 H new ATOM 0 HD1 TYR A 21 -9.780 8.310 -6.644 1.00 12.43 H new ATOM 0 HD2 TYR A 21 -6.645 8.512 -3.783 1.00 11.21 H new ATOM 0 HE1 TYR A 21 -11.405 8.818 -4.900 1.00 51.21 H new ATOM 0 HE2 TYR A 21 -8.282 8.992 -2.020 1.00 1.22 H new ATOM 0 HH TYR A 21 -11.763 9.263 -2.783 1.00 62.33 H new ATOM 121 N GLN A 22 -5.109 10.694 -6.283 1.00 42.32 N ATOM 122 CA GLN A 22 -4.575 11.781 -5.496 1.00 73.12 C ATOM 123 C GLN A 22 -4.860 13.142 -6.142 1.00 62.30 C ATOM 124 O GLN A 22 -4.944 14.156 -5.460 1.00 45.22 O ATOM 125 CB GLN A 22 -3.101 11.549 -5.141 1.00 24.23 C ATOM 126 CG GLN A 22 -2.893 10.817 -3.793 1.00 73.34 C ATOM 127 CD GLN A 22 -3.895 9.688 -3.534 1.00 1.22 C ATOM 128 OE1 GLN A 22 -4.958 9.919 -2.947 1.00 42.14 O ATOM 129 NE2 GLN A 22 -3.570 8.491 -3.928 1.00 22.34 N ATOM 0 H GLN A 22 -4.404 10.089 -6.705 1.00 42.32 H new ATOM 0 HA GLN A 22 -5.101 11.802 -4.542 1.00 73.12 H new ATOM 0 HB2 GLN A 22 -2.632 10.969 -5.936 1.00 24.23 H new ATOM 0 HB3 GLN A 22 -2.590 12.511 -5.105 1.00 24.23 H new ATOM 0 HG2 GLN A 22 -1.884 10.406 -3.767 1.00 73.34 H new ATOM 0 HG3 GLN A 22 -2.962 11.543 -2.983 1.00 73.34 H new ATOM 0 HE21 GLN A 22 -2.685 8.336 -4.410 1.00 22.34 H new ATOM 0 HE22 GLN A 22 -4.201 7.708 -3.755 1.00 22.34 H new ATOM 138 N GLN A 23 -5.088 13.136 -7.446 1.00 13.31 N ATOM 139 CA GLN A 23 -5.511 14.331 -8.167 1.00 63.53 C ATOM 140 C GLN A 23 -6.998 14.589 -7.944 1.00 64.11 C ATOM 141 O GLN A 23 -7.474 15.713 -8.063 1.00 24.12 O ATOM 142 CB GLN A 23 -5.160 14.238 -9.652 1.00 14.30 C ATOM 143 CG GLN A 23 -3.695 14.533 -9.940 1.00 73.30 C ATOM 144 CD GLN A 23 -3.377 15.998 -9.696 1.00 2.32 C ATOM 145 OE1 GLN A 23 -3.475 16.819 -10.615 1.00 54.20 O ATOM 146 NE2 GLN A 23 -3.040 16.345 -8.470 1.00 2.14 N ATOM 0 H GLN A 23 -4.986 12.309 -8.034 1.00 13.31 H new ATOM 0 HA GLN A 23 -4.964 15.186 -7.769 1.00 63.53 H new ATOM 0 HB2 GLN A 23 -5.401 13.238 -10.014 1.00 14.30 H new ATOM 0 HB3 GLN A 23 -5.782 14.938 -10.210 1.00 14.30 H new ATOM 0 HG2 GLN A 23 -3.063 13.910 -9.307 1.00 73.30 H new ATOM 0 HG3 GLN A 23 -3.464 14.274 -10.973 1.00 73.30 H new ATOM 0 HE21 GLN A 23 -2.970 15.636 -7.740 1.00 2.14 H new ATOM 0 HE22 GLN A 23 -2.849 17.323 -8.251 1.00 2.14 H new ATOM 155 N LEU A 24 -7.724 13.540 -7.627 1.00 52.44 N ATOM 156 CA LEU A 24 -9.111 13.662 -7.212 1.00 64.40 C ATOM 157 C LEU A 24 -9.116 14.205 -5.794 1.00 35.25 C ATOM 158 O LEU A 24 -9.768 15.186 -5.491 1.00 24.43 O ATOM 159 CB LEU A 24 -9.849 12.265 -7.351 1.00 25.43 C ATOM 160 CG LEU A 24 -11.247 12.057 -6.744 1.00 21.03 C ATOM 161 CD1 LEU A 24 -11.843 10.790 -7.309 1.00 10.21 C ATOM 162 CD2 LEU A 24 -11.220 11.939 -5.225 1.00 14.20 C ATOM 0 H LEU A 24 -7.376 12.582 -7.648 1.00 52.44 H new ATOM 0 HA LEU A 24 -9.664 14.352 -7.849 1.00 64.40 H new ATOM 0 HB2 LEU A 24 -9.925 12.046 -8.416 1.00 25.43 H new ATOM 0 HB3 LEU A 24 -9.194 11.510 -6.916 1.00 25.43 H new ATOM 0 HG LEU A 24 -11.843 12.933 -7.000 1.00 21.03 H new ATOM 0 HD11 LEU A 24 -12.835 10.634 -6.885 1.00 10.21 H new ATOM 0 HD12 LEU A 24 -11.922 10.877 -8.393 1.00 10.21 H new ATOM 0 HD13 LEU A 24 -11.203 9.944 -7.058 1.00 10.21 H new ATOM 0 HD21 LEU A 24 -12.234 11.794 -4.853 1.00 14.20 H new ATOM 0 HD22 LEU A 24 -10.603 11.088 -4.937 1.00 14.20 H new ATOM 0 HD23 LEU A 24 -10.804 12.851 -4.797 1.00 14.20 H new ATOM 174 N ARG A 25 -8.314 13.579 -4.970 1.00 11.21 N ATOM 175 CA ARG A 25 -8.172 13.880 -3.561 1.00 61.42 C ATOM 176 C ARG A 25 -7.768 15.313 -3.273 1.00 63.00 C ATOM 177 O ARG A 25 -8.274 15.907 -2.316 1.00 63.11 O ATOM 178 CB ARG A 25 -7.215 12.901 -2.954 1.00 73.00 C ATOM 179 CG ARG A 25 -6.756 13.219 -1.564 1.00 2.44 C ATOM 180 CD ARG A 25 -6.383 11.957 -0.908 1.00 23.43 C ATOM 181 NE ARG A 25 -5.642 12.149 0.350 1.00 22.22 N ATOM 182 CZ ARG A 25 -4.890 11.193 0.955 1.00 22.24 C ATOM 183 NH1 ARG A 25 -4.695 10.004 0.367 1.00 25.13 N1+ ATOM 184 NH2 ARG A 25 -4.309 11.449 2.127 1.00 13.22 N ATOM 0 H ARG A 25 -7.714 12.811 -5.273 1.00 11.21 H new ATOM 0 HA ARG A 25 -9.155 13.779 -3.101 1.00 61.42 H new ATOM 0 HB2 ARG A 25 -7.686 11.918 -2.946 1.00 73.00 H new ATOM 0 HB3 ARG A 25 -6.339 12.829 -3.599 1.00 73.00 H new ATOM 0 HG2 ARG A 25 -5.906 13.901 -1.590 1.00 2.44 H new ATOM 0 HG3 ARG A 25 -7.548 13.719 -1.006 1.00 2.44 H new ATOM 0 HD2 ARG A 25 -7.286 11.381 -0.705 1.00 23.43 H new ATOM 0 HD3 ARG A 25 -5.775 11.366 -1.593 1.00 23.43 H new ATOM 0 HE ARG A 25 -5.697 13.064 0.798 1.00 22.22 H new ATOM 0 HH11 ARG A 25 -5.113 9.810 -0.543 1.00 25.13 H new ATOM 0 HH12 ARG A 25 -4.129 9.293 0.830 1.00 25.13 H new ATOM 0 HH21 ARG A 25 -4.430 12.361 2.568 1.00 13.22 H new ATOM 0 HH22 ARG A 25 -3.744 10.733 2.583 1.00 13.22 H new ATOM 198 N GLU A 26 -6.867 15.850 -4.084 1.00 61.22 N ATOM 199 CA GLU A 26 -6.433 17.236 -3.982 1.00 2.43 C ATOM 200 C GLU A 26 -7.669 18.138 -3.933 1.00 20.45 C ATOM 201 O GLU A 26 -7.843 18.963 -3.034 1.00 3.21 O ATOM 202 CB GLU A 26 -5.616 17.574 -5.231 1.00 42.25 C ATOM 203 CG GLU A 26 -4.968 18.940 -5.218 1.00 74.11 C ATOM 204 CD GLU A 26 -4.430 19.325 -6.578 1.00 74.43 C ATOM 205 OE1 GLU A 26 -5.054 20.189 -7.244 1.00 31.13 O ATOM 206 OE2 GLU A 26 -3.442 18.720 -7.043 1.00 43.12 O1- ATOM 0 H GLU A 26 -6.413 15.332 -4.837 1.00 61.22 H new ATOM 0 HA GLU A 26 -5.833 17.385 -3.085 1.00 2.43 H new ATOM 0 HB2 GLU A 26 -4.838 16.820 -5.353 1.00 42.25 H new ATOM 0 HB3 GLU A 26 -6.267 17.505 -6.103 1.00 42.25 H new ATOM 0 HG2 GLU A 26 -5.696 19.683 -4.892 1.00 74.11 H new ATOM 0 HG3 GLU A 26 -4.156 18.949 -4.491 1.00 74.11 H new ATOM 213 N ARG A 27 -8.560 17.896 -4.862 1.00 42.43 N ATOM 214 CA ARG A 27 -9.744 18.681 -4.994 1.00 22.02 C ATOM 215 C ARG A 27 -10.890 18.176 -4.111 1.00 34.33 C ATOM 216 O ARG A 27 -11.817 18.911 -3.843 1.00 43.45 O ATOM 217 CB ARG A 27 -10.107 18.841 -6.466 1.00 50.32 C ATOM 218 CG ARG A 27 -8.981 19.550 -7.213 1.00 53.54 C ATOM 219 CD ARG A 27 -8.451 18.729 -8.378 1.00 51.35 C ATOM 220 NE ARG A 27 -7.058 19.076 -8.668 1.00 65.00 N ATOM 221 CZ ARG A 27 -6.272 18.520 -9.587 1.00 34.34 C ATOM 222 NH1 ARG A 27 -6.751 17.634 -10.459 1.00 44.24 N1+ ATOM 223 NH2 ARG A 27 -4.999 18.832 -9.602 1.00 15.20 N ATOM 0 H ARG A 27 -8.477 17.144 -5.546 1.00 42.43 H new ATOM 0 HA ARG A 27 -9.542 19.681 -4.611 1.00 22.02 H new ATOM 0 HB2 ARG A 27 -10.289 17.863 -6.911 1.00 50.32 H new ATOM 0 HB3 ARG A 27 -11.031 19.411 -6.560 1.00 50.32 H new ATOM 0 HG2 ARG A 27 -9.342 20.510 -7.583 1.00 53.54 H new ATOM 0 HG3 ARG A 27 -8.166 19.761 -6.521 1.00 53.54 H new ATOM 0 HD2 ARG A 27 -8.525 17.667 -8.144 1.00 51.35 H new ATOM 0 HD3 ARG A 27 -9.065 18.904 -9.261 1.00 51.35 H new ATOM 0 HE ARG A 27 -6.647 19.822 -8.107 1.00 65.00 H new ATOM 0 HH11 ARG A 27 -7.736 17.371 -10.430 1.00 44.24 H new ATOM 0 HH12 ARG A 27 -6.133 17.219 -11.156 1.00 44.24 H new ATOM 0 HH21 ARG A 27 -4.627 19.490 -8.917 1.00 15.20 H new ATOM 0 HH22 ARG A 27 -4.380 18.417 -10.298 1.00 15.20 H new ATOM 237 N LEU A 28 -10.805 16.927 -3.639 1.00 12.10 N ATOM 238 CA LEU A 28 -11.779 16.390 -2.699 1.00 24.24 C ATOM 239 C LEU A 28 -11.712 17.201 -1.405 1.00 23.50 C ATOM 240 O LEU A 28 -12.736 17.604 -0.834 1.00 21.45 O ATOM 241 CB LEU A 28 -11.508 14.872 -2.421 1.00 63.04 C ATOM 242 CG LEU A 28 -12.778 14.039 -2.214 1.00 21.42 C ATOM 243 CD1 LEU A 28 -12.467 12.577 -2.046 1.00 10.03 C ATOM 244 CD2 LEU A 28 -13.619 14.529 -1.050 1.00 73.35 C ATOM 0 H LEU A 28 -10.067 16.272 -3.897 1.00 12.10 H new ATOM 0 HA LEU A 28 -12.779 16.468 -3.126 1.00 24.24 H new ATOM 0 HB2 LEU A 28 -10.945 14.455 -3.256 1.00 63.04 H new ATOM 0 HB3 LEU A 28 -10.879 14.782 -1.536 1.00 63.04 H new ATOM 0 HG LEU A 28 -13.366 14.168 -3.123 1.00 21.42 H new ATOM 0 HD11 LEU A 28 -13.394 12.022 -1.902 1.00 10.03 H new ATOM 0 HD12 LEU A 28 -11.958 12.209 -2.937 1.00 10.03 H new ATOM 0 HD13 LEU A 28 -11.823 12.439 -1.177 1.00 10.03 H new ATOM 0 HD21 LEU A 28 -14.505 13.901 -0.952 1.00 73.35 H new ATOM 0 HD22 LEU A 28 -13.034 14.478 -0.132 1.00 73.35 H new ATOM 0 HD23 LEU A 28 -13.923 15.560 -1.230 1.00 73.35 H new ATOM 256 N ILE A 29 -10.496 17.483 -0.994 1.00 53.21 N ATOM 257 CA ILE A 29 -10.227 18.262 0.201 1.00 31.15 C ATOM 258 C ILE A 29 -10.672 19.719 -0.009 1.00 44.44 C ATOM 259 O ILE A 29 -11.091 20.401 0.919 1.00 20.54 O ATOM 260 CB ILE A 29 -8.716 18.128 0.592 1.00 13.21 C ATOM 261 CG1 ILE A 29 -8.447 16.652 0.911 1.00 70.41 C ATOM 262 CG2 ILE A 29 -8.344 19.014 1.780 1.00 3.13 C ATOM 263 CD1 ILE A 29 -7.044 16.300 1.328 1.00 42.02 C ATOM 0 H ILE A 29 -9.655 17.176 -1.483 1.00 53.21 H new ATOM 0 HA ILE A 29 -10.806 17.877 1.041 1.00 31.15 H new ATOM 0 HB ILE A 29 -8.098 18.464 -0.241 1.00 13.21 H new ATOM 0 HG12 ILE A 29 -9.126 16.346 1.706 1.00 70.41 H new ATOM 0 HG13 ILE A 29 -8.700 16.061 0.031 1.00 70.41 H new ATOM 0 HG21 ILE A 29 -7.287 18.886 2.013 1.00 3.13 H new ATOM 0 HG22 ILE A 29 -8.537 20.057 1.530 1.00 3.13 H new ATOM 0 HG23 ILE A 29 -8.943 18.732 2.646 1.00 3.13 H new ATOM 0 HD11 ILE A 29 -6.981 15.230 1.526 1.00 42.02 H new ATOM 0 HD12 ILE A 29 -6.350 16.563 0.529 1.00 42.02 H new ATOM 0 HD13 ILE A 29 -6.784 16.852 2.231 1.00 42.02 H new ATOM 275 N GLN A 30 -10.653 20.136 -1.250 1.00 33.20 N ATOM 276 CA GLN A 30 -11.098 21.456 -1.650 1.00 22.53 C ATOM 277 C GLN A 30 -12.641 21.546 -1.629 1.00 53.13 C ATOM 278 O GLN A 30 -13.206 22.443 -1.021 1.00 1.03 O ATOM 279 CB GLN A 30 -10.588 21.746 -3.065 1.00 35.32 C ATOM 280 CG GLN A 30 -11.072 23.051 -3.670 1.00 74.00 C ATOM 281 CD GLN A 30 -10.681 23.174 -5.126 1.00 3.22 C ATOM 282 OE1 GLN A 30 -9.634 23.690 -5.456 1.00 65.45 O ATOM 283 NE2 GLN A 30 -11.516 22.675 -6.006 1.00 31.54 N ATOM 0 H GLN A 30 -10.324 19.562 -2.026 1.00 33.20 H new ATOM 0 HA GLN A 30 -10.702 22.190 -0.948 1.00 22.53 H new ATOM 0 HB2 GLN A 30 -9.498 21.754 -3.047 1.00 35.32 H new ATOM 0 HB3 GLN A 30 -10.890 20.927 -3.718 1.00 35.32 H new ATOM 0 HG2 GLN A 30 -12.156 23.114 -3.578 1.00 74.00 H new ATOM 0 HG3 GLN A 30 -10.655 23.888 -3.110 1.00 74.00 H new ATOM 0 HE21 GLN A 30 -12.389 22.248 -5.696 1.00 31.54 H new ATOM 0 HE22 GLN A 30 -11.293 22.714 -7.000 1.00 31.54 H new ATOM 292 N GLU A 31 -13.299 20.588 -2.275 1.00 3.44 N ATOM 293 CA GLU A 31 -14.749 20.602 -2.452 1.00 51.20 C ATOM 294 C GLU A 31 -15.590 20.553 -1.168 1.00 3.55 C ATOM 295 O GLU A 31 -16.728 21.052 -1.163 1.00 60.11 O ATOM 296 CB GLU A 31 -15.203 19.620 -3.531 1.00 3.54 C ATOM 297 CG GLU A 31 -14.819 20.103 -4.936 1.00 64.52 C ATOM 298 CD GLU A 31 -15.184 19.152 -6.065 1.00 33.44 C ATOM 299 OE1 GLU A 31 -16.390 18.966 -6.359 1.00 31.03 O ATOM 300 OE2 GLU A 31 -14.264 18.636 -6.725 1.00 63.34 O1- ATOM 0 H GLU A 31 -12.841 19.778 -2.692 1.00 3.44 H new ATOM 0 HA GLU A 31 -14.966 21.605 -2.820 1.00 51.20 H new ATOM 0 HB2 GLU A 31 -14.754 18.644 -3.347 1.00 3.54 H new ATOM 0 HB3 GLU A 31 -16.284 19.490 -3.474 1.00 3.54 H new ATOM 0 HG2 GLU A 31 -15.303 21.062 -5.119 1.00 64.52 H new ATOM 0 HG3 GLU A 31 -13.743 20.278 -4.962 1.00 64.52 H new ATOM 307 N LEU A 32 -15.100 19.942 -0.096 1.00 14.50 N ATOM 308 CA LEU A 32 -15.813 20.089 1.180 1.00 42.33 C ATOM 309 C LEU A 32 -15.175 21.137 2.079 1.00 41.25 C ATOM 310 O LEU A 32 -15.729 21.462 3.122 1.00 30.40 O ATOM 311 CB LEU A 32 -15.915 18.788 1.955 1.00 71.35 C ATOM 312 CG LEU A 32 -16.840 17.719 1.432 1.00 71.23 C ATOM 313 CD1 LEU A 32 -16.833 16.538 2.382 1.00 73.31 C ATOM 314 CD2 LEU A 32 -18.244 18.254 1.279 1.00 14.45 C ATOM 0 H LEU A 32 -14.257 19.368 -0.073 1.00 14.50 H new ATOM 0 HA LEU A 32 -16.816 20.410 0.901 1.00 42.33 H new ATOM 0 HB2 LEU A 32 -14.915 18.360 2.021 1.00 71.35 H new ATOM 0 HB3 LEU A 32 -16.226 19.029 2.972 1.00 71.35 H new ATOM 0 HG LEU A 32 -16.490 17.399 0.451 1.00 71.23 H new ATOM 0 HD11 LEU A 32 -17.502 15.764 2.005 1.00 73.31 H new ATOM 0 HD12 LEU A 32 -15.822 16.138 2.458 1.00 73.31 H new ATOM 0 HD13 LEU A 32 -17.171 16.861 3.367 1.00 73.31 H new ATOM 0 HD21 LEU A 32 -18.895 17.466 0.900 1.00 14.45 H new ATOM 0 HD22 LEU A 32 -18.611 18.594 2.247 1.00 14.45 H new ATOM 0 HD23 LEU A 32 -18.241 19.089 0.579 1.00 14.45 H new ATOM 326 N ASN A 33 -14.047 21.693 1.633 1.00 61.33 N ATOM 327 CA ASN A 33 -13.215 22.602 2.447 1.00 44.13 C ATOM 328 C ASN A 33 -12.786 21.859 3.714 1.00 2.05 C ATOM 329 O ASN A 33 -13.272 22.107 4.830 1.00 24.14 O ATOM 330 CB ASN A 33 -13.921 23.945 2.775 1.00 41.23 C ATOM 331 CG ASN A 33 -13.015 24.963 3.478 1.00 60.43 C ATOM 332 OD1 ASN A 33 -12.365 25.783 2.839 1.00 15.35 O ATOM 333 ND2 ASN A 33 -12.958 24.908 4.786 1.00 21.12 N ATOM 0 H ASN A 33 -13.678 21.530 0.696 1.00 61.33 H new ATOM 0 HA ASN A 33 -12.337 22.883 1.866 1.00 44.13 H new ATOM 0 HB2 ASN A 33 -14.296 24.383 1.850 1.00 41.23 H new ATOM 0 HB3 ASN A 33 -14.787 23.745 3.407 1.00 41.23 H new ATOM 0 HD21 ASN A 33 -12.362 25.558 5.298 1.00 21.12 H new ATOM 0 HD22 ASN A 33 -13.510 24.215 5.292 1.00 21.12 H new ATOM 340 N LEU A 34 -11.942 20.895 3.504 1.00 13.15 N ATOM 341 CA LEU A 34 -11.494 20.007 4.536 1.00 35.43 C ATOM 342 C LEU A 34 -10.053 20.299 4.866 1.00 1.05 C ATOM 343 O LEU A 34 -9.354 20.969 4.112 1.00 65.44 O ATOM 344 CB LEU A 34 -11.623 18.555 4.034 1.00 33.44 C ATOM 345 CG LEU A 34 -13.040 18.101 3.682 1.00 43.23 C ATOM 346 CD1 LEU A 34 -13.024 16.915 2.718 1.00 14.15 C ATOM 347 CD2 LEU A 34 -13.817 17.727 4.929 1.00 61.13 C ATOM 0 H LEU A 34 -11.536 20.699 2.589 1.00 13.15 H new ATOM 0 HA LEU A 34 -12.100 20.146 5.431 1.00 35.43 H new ATOM 0 HB2 LEU A 34 -10.993 18.437 3.152 1.00 33.44 H new ATOM 0 HB3 LEU A 34 -11.227 17.888 4.800 1.00 33.44 H new ATOM 0 HG LEU A 34 -13.532 18.942 3.193 1.00 43.23 H new ATOM 0 HD11 LEU A 34 -14.048 16.618 2.489 1.00 14.15 H new ATOM 0 HD12 LEU A 34 -12.515 17.201 1.798 1.00 14.15 H new ATOM 0 HD13 LEU A 34 -12.498 16.079 3.179 1.00 14.15 H new ATOM 0 HD21 LEU A 34 -14.821 17.408 4.650 1.00 61.13 H new ATOM 0 HD22 LEU A 34 -13.308 16.913 5.445 1.00 61.13 H new ATOM 0 HD23 LEU A 34 -13.882 18.591 5.590 1.00 61.13 H new ATOM 359 N THR A 35 -9.618 19.827 5.982 1.00 71.33 N ATOM 360 CA THR A 35 -8.242 19.935 6.346 1.00 23.31 C ATOM 361 C THR A 35 -7.653 18.525 6.359 1.00 44.22 C ATOM 362 O THR A 35 -8.406 17.566 6.503 1.00 3.04 O ATOM 363 CB THR A 35 -8.079 20.617 7.728 1.00 75.45 C ATOM 364 OG1 THR A 35 -8.883 19.949 8.704 1.00 2.31 O ATOM 365 CG2 THR A 35 -8.471 22.088 7.663 1.00 61.23 C ATOM 0 H THR A 35 -10.203 19.354 6.671 1.00 71.33 H new ATOM 0 HA THR A 35 -7.713 20.559 5.625 1.00 23.31 H new ATOM 0 HB THR A 35 -7.029 20.551 8.014 1.00 75.45 H new ATOM 0 HG1 THR A 35 -8.772 20.386 9.574 1.00 2.31 H new ATOM 0 HG21 THR A 35 -8.347 22.541 8.646 1.00 61.23 H new ATOM 0 HG22 THR A 35 -7.835 22.603 6.943 1.00 61.23 H new ATOM 0 HG23 THR A 35 -9.512 22.174 7.353 1.00 61.23 H new ATOM 373 N PRO A 36 -6.323 18.356 6.205 1.00 43.23 N ATOM 374 CA PRO A 36 -5.688 17.014 6.191 1.00 72.21 C ATOM 375 C PRO A 36 -5.860 16.249 7.518 1.00 40.32 C ATOM 376 O PRO A 36 -5.676 15.041 7.575 1.00 72.32 O ATOM 377 CB PRO A 36 -4.203 17.320 5.945 1.00 44.21 C ATOM 378 CG PRO A 36 -4.183 18.689 5.355 1.00 2.34 C ATOM 379 CD PRO A 36 -5.330 19.424 5.981 1.00 21.30 C ATOM 0 HA PRO A 36 -6.142 16.370 5.437 1.00 72.21 H new ATOM 0 HB2 PRO A 36 -3.633 17.282 6.873 1.00 44.21 H new ATOM 0 HB3 PRO A 36 -3.757 16.592 5.268 1.00 44.21 H new ATOM 0 HG2 PRO A 36 -3.238 19.190 5.563 1.00 2.34 H new ATOM 0 HG3 PRO A 36 -4.290 18.649 4.271 1.00 2.34 H new ATOM 0 HD2 PRO A 36 -5.039 19.907 6.914 1.00 21.30 H new ATOM 0 HD3 PRO A 36 -5.716 20.204 5.325 1.00 21.30 H new ATOM 387 N GLN A 37 -6.207 16.972 8.575 1.00 4.13 N ATOM 388 CA GLN A 37 -6.431 16.359 9.877 1.00 4.51 C ATOM 389 C GLN A 37 -7.876 15.890 9.978 1.00 24.01 C ATOM 390 O GLN A 37 -8.181 14.918 10.653 1.00 2.04 O ATOM 391 CB GLN A 37 -6.114 17.341 11.009 1.00 23.41 C ATOM 392 CG GLN A 37 -4.672 17.829 11.025 1.00 75.30 C ATOM 393 CD GLN A 37 -4.378 18.743 12.200 1.00 51.12 C ATOM 394 OE1 GLN A 37 -3.984 18.298 13.258 1.00 61.53 O ATOM 395 NE2 GLN A 37 -4.571 20.027 12.019 1.00 24.44 N ATOM 0 H GLN A 37 -6.339 17.983 8.556 1.00 4.13 H new ATOM 0 HA GLN A 37 -5.763 15.503 9.978 1.00 4.51 H new ATOM 0 HB2 GLN A 37 -6.777 18.202 10.924 1.00 23.41 H new ATOM 0 HB3 GLN A 37 -6.335 16.862 11.963 1.00 23.41 H new ATOM 0 HG2 GLN A 37 -4.002 16.970 11.061 1.00 75.30 H new ATOM 0 HG3 GLN A 37 -4.461 18.359 10.096 1.00 75.30 H new ATOM 0 HE21 GLN A 37 -4.903 20.371 11.118 1.00 24.44 H new ATOM 0 HE22 GLN A 37 -4.389 20.682 12.779 1.00 24.44 H new ATOM 404 N GLN A 38 -8.749 16.594 9.283 1.00 43.13 N ATOM 405 CA GLN A 38 -10.146 16.280 9.243 1.00 52.14 C ATOM 406 C GLN A 38 -10.360 15.140 8.271 1.00 21.12 C ATOM 407 O GLN A 38 -11.020 14.137 8.578 1.00 60.12 O ATOM 408 CB GLN A 38 -10.905 17.513 8.776 1.00 52.41 C ATOM 409 CG GLN A 38 -12.390 17.351 8.668 1.00 63.41 C ATOM 410 CD GLN A 38 -13.031 18.637 8.221 1.00 33.03 C ATOM 411 OE1 GLN A 38 -12.404 19.438 7.533 1.00 72.45 O ATOM 412 NE2 GLN A 38 -14.271 18.836 8.571 1.00 42.20 N ATOM 0 H GLN A 38 -8.494 17.410 8.726 1.00 43.13 H new ATOM 0 HA GLN A 38 -10.504 15.984 10.229 1.00 52.14 H new ATOM 0 HB2 GLN A 38 -10.695 18.331 9.465 1.00 52.41 H new ATOM 0 HB3 GLN A 38 -10.517 17.810 7.802 1.00 52.41 H new ATOM 0 HG2 GLN A 38 -12.624 16.556 7.960 1.00 63.41 H new ATOM 0 HG3 GLN A 38 -12.800 17.050 9.632 1.00 63.41 H new ATOM 0 HE21 GLN A 38 -14.756 18.145 9.144 1.00 42.20 H new ATOM 0 HE22 GLN A 38 -14.756 19.682 8.272 1.00 42.20 H new ATOM 421 N LEU A 39 -9.777 15.276 7.110 1.00 34.31 N ATOM 422 CA LEU A 39 -9.913 14.280 6.125 1.00 10.24 C ATOM 423 C LEU A 39 -8.665 13.414 6.129 1.00 41.12 C ATOM 424 O LEU A 39 -7.748 13.601 5.318 1.00 42.42 O ATOM 425 CB LEU A 39 -10.134 14.869 4.723 1.00 13.00 C ATOM 426 CG LEU A 39 -10.954 14.023 3.717 1.00 55.55 C ATOM 427 CD1 LEU A 39 -10.588 14.361 2.284 1.00 33.41 C ATOM 428 CD2 LEU A 39 -10.890 12.525 3.981 1.00 32.22 C ATOM 0 H LEU A 39 -9.205 16.076 6.839 1.00 34.31 H new ATOM 0 HA LEU A 39 -10.795 13.686 6.364 1.00 10.24 H new ATOM 0 HB2 LEU A 39 -10.631 15.833 4.837 1.00 13.00 H new ATOM 0 HB3 LEU A 39 -9.157 15.064 4.281 1.00 13.00 H new ATOM 0 HG LEU A 39 -11.997 14.299 3.873 1.00 55.55 H new ATOM 0 HD11 LEU A 39 -11.181 13.750 1.603 1.00 33.41 H new ATOM 0 HD12 LEU A 39 -10.791 15.415 2.096 1.00 33.41 H new ATOM 0 HD13 LEU A 39 -9.529 14.161 2.122 1.00 33.41 H new ATOM 0 HD21 LEU A 39 -11.488 11.999 3.237 1.00 32.22 H new ATOM 0 HD22 LEU A 39 -9.855 12.189 3.919 1.00 32.22 H new ATOM 0 HD23 LEU A 39 -11.281 12.314 4.976 1.00 32.22 H new ATOM 440 N HIS A 40 -8.593 12.554 7.096 1.00 70.31 N ATOM 441 CA HIS A 40 -7.583 11.540 7.119 1.00 74.33 C ATOM 442 C HIS A 40 -8.004 10.516 6.063 1.00 43.43 C ATOM 443 O HIS A 40 -9.192 10.374 5.795 1.00 62.44 O ATOM 444 CB HIS A 40 -7.491 10.925 8.538 1.00 61.41 C ATOM 445 CG HIS A 40 -6.522 9.789 8.676 1.00 32.13 C ATOM 446 ND1 HIS A 40 -5.155 9.933 8.726 1.00 72.40 N ATOM 447 CD2 HIS A 40 -6.757 8.461 8.755 1.00 62.34 C ATOM 448 CE1 HIS A 40 -4.618 8.712 8.826 1.00 74.31 C ATOM 449 NE2 HIS A 40 -5.553 7.787 8.847 1.00 43.23 N ATOM 0 H HIS A 40 -9.231 12.534 7.891 1.00 70.31 H new ATOM 0 HA HIS A 40 -6.589 11.926 6.893 1.00 74.33 H new ATOM 0 HB2 HIS A 40 -7.209 11.710 9.240 1.00 61.41 H new ATOM 0 HB3 HIS A 40 -8.481 10.576 8.831 1.00 61.41 H new ATOM 0 HD2 HIS A 40 -7.733 7.998 8.747 1.00 62.34 H new ATOM 0 HE1 HIS A 40 -3.558 8.512 8.882 1.00 74.31 H new ATOM 0 HE2 HIS A 40 -5.418 6.778 8.917 1.00 43.23 H new ATOM 457 N GLU A 41 -7.083 9.812 5.464 1.00 4.22 N ATOM 458 CA GLU A 41 -7.455 8.936 4.368 1.00 42.22 C ATOM 459 C GLU A 41 -8.294 7.730 4.738 1.00 45.24 C ATOM 460 O GLU A 41 -8.928 7.134 3.878 1.00 71.50 O ATOM 461 CB GLU A 41 -6.315 8.668 3.403 1.00 54.50 C ATOM 462 CG GLU A 41 -5.030 8.175 4.014 1.00 74.15 C ATOM 463 CD GLU A 41 -3.885 8.535 3.113 1.00 22.33 C ATOM 464 OE1 GLU A 41 -3.155 9.482 3.457 1.00 22.22 O ATOM 465 OE2 GLU A 41 -3.802 8.010 1.996 1.00 24.30 O1- ATOM 0 H GLU A 41 -6.091 9.820 5.702 1.00 4.22 H new ATOM 0 HA GLU A 41 -8.173 9.520 3.793 1.00 42.22 H new ATOM 0 HB2 GLU A 41 -6.651 7.933 2.671 1.00 54.50 H new ATOM 0 HB3 GLU A 41 -6.104 9.588 2.857 1.00 54.50 H new ATOM 0 HG2 GLU A 41 -4.887 8.620 4.999 1.00 74.15 H new ATOM 0 HG3 GLU A 41 -5.071 7.095 4.155 1.00 74.15 H new ATOM 472 N GLU A 42 -8.363 7.428 6.006 1.00 23.22 N ATOM 473 CA GLU A 42 -9.228 6.373 6.456 1.00 41.24 C ATOM 474 C GLU A 42 -10.379 7.004 7.294 1.00 23.42 C ATOM 475 O GLU A 42 -11.007 6.365 8.131 1.00 63.32 O ATOM 476 CB GLU A 42 -8.426 5.341 7.256 1.00 14.44 C ATOM 477 CG GLU A 42 -9.094 3.972 7.306 1.00 30.12 C ATOM 478 CD GLU A 42 -9.257 3.372 5.910 1.00 44.43 C ATOM 479 OE1 GLU A 42 -10.328 3.578 5.277 1.00 13.21 O ATOM 480 OE2 GLU A 42 -8.315 2.725 5.433 1.00 1.25 O1- ATOM 0 H GLU A 42 -7.833 7.895 6.742 1.00 23.22 H new ATOM 0 HA GLU A 42 -9.666 5.845 5.609 1.00 41.24 H new ATOM 0 HB2 GLU A 42 -7.435 5.239 6.815 1.00 14.44 H new ATOM 0 HB3 GLU A 42 -8.286 5.708 8.273 1.00 14.44 H new ATOM 0 HG2 GLU A 42 -8.500 3.299 7.924 1.00 30.12 H new ATOM 0 HG3 GLU A 42 -10.071 4.061 7.780 1.00 30.12 H new ATOM 487 N SER A 43 -10.643 8.285 7.041 1.00 23.21 N ATOM 488 CA SER A 43 -11.734 8.987 7.693 1.00 4.12 C ATOM 489 C SER A 43 -12.972 8.860 6.811 1.00 13.43 C ATOM 490 O SER A 43 -12.858 8.747 5.575 1.00 62.23 O ATOM 491 CB SER A 43 -11.371 10.471 7.931 1.00 32.11 C ATOM 492 OG SER A 43 -12.369 11.163 8.667 1.00 62.13 O ATOM 0 H SER A 43 -10.110 8.855 6.385 1.00 23.21 H new ATOM 0 HA SER A 43 -11.929 8.547 8.671 1.00 4.12 H new ATOM 0 HB2 SER A 43 -10.423 10.529 8.467 1.00 32.11 H new ATOM 0 HB3 SER A 43 -11.225 10.965 6.970 1.00 32.11 H new ATOM 0 HG SER A 43 -12.029 12.043 8.931 1.00 62.13 H new ATOM 498 N ASN A 44 -14.136 8.892 7.423 1.00 64.50 N ATOM 499 CA ASN A 44 -15.377 8.657 6.712 1.00 75.31 C ATOM 500 C ASN A 44 -15.811 9.891 5.927 1.00 21.05 C ATOM 501 O ASN A 44 -16.206 10.900 6.498 1.00 73.14 O ATOM 502 CB ASN A 44 -16.488 8.229 7.668 1.00 32.13 C ATOM 503 CG ASN A 44 -17.723 7.731 6.936 1.00 11.53 C ATOM 504 OD1 ASN A 44 -18.580 8.506 6.536 1.00 32.25 O ATOM 505 ND2 ASN A 44 -17.833 6.434 6.781 1.00 40.45 N ATOM 0 H ASN A 44 -14.250 9.080 8.419 1.00 64.50 H new ATOM 0 HA ASN A 44 -15.194 7.847 6.006 1.00 75.31 H new ATOM 0 HB2 ASN A 44 -16.116 7.442 8.324 1.00 32.13 H new ATOM 0 HB3 ASN A 44 -16.761 9.071 8.304 1.00 32.13 H new ATOM 0 HD21 ASN A 44 -18.652 6.044 6.315 1.00 40.45 H new ATOM 0 HD22 ASN A 44 -17.100 5.815 7.127 1.00 40.45 H new ATOM 512 N LEU A 45 -15.760 9.779 4.622 1.00 0.43 N ATOM 513 CA LEU A 45 -16.108 10.864 3.711 1.00 35.53 C ATOM 514 C LEU A 45 -17.594 11.268 3.743 1.00 63.22 C ATOM 515 O LEU A 45 -17.927 12.415 3.446 1.00 12.23 O ATOM 516 CB LEU A 45 -15.655 10.554 2.288 1.00 64.33 C ATOM 517 CG LEU A 45 -14.182 10.850 1.942 1.00 65.41 C ATOM 518 CD1 LEU A 45 -13.882 10.344 0.556 1.00 33.02 C ATOM 519 CD2 LEU A 45 -13.913 12.363 2.021 1.00 14.44 C ATOM 0 H LEU A 45 -15.473 8.923 4.147 1.00 0.43 H new ATOM 0 HA LEU A 45 -15.563 11.734 4.077 1.00 35.53 H new ATOM 0 HB2 LEU A 45 -15.842 9.498 2.095 1.00 64.33 H new ATOM 0 HB3 LEU A 45 -16.285 11.120 1.601 1.00 64.33 H new ATOM 0 HG LEU A 45 -13.536 10.344 2.659 1.00 65.41 H new ATOM 0 HD11 LEU A 45 -12.841 10.553 0.310 1.00 33.02 H new ATOM 0 HD12 LEU A 45 -14.056 9.269 0.516 1.00 33.02 H new ATOM 0 HD13 LEU A 45 -14.532 10.844 -0.162 1.00 33.02 H new ATOM 0 HD21 LEU A 45 -12.870 12.560 1.775 1.00 14.44 H new ATOM 0 HD22 LEU A 45 -14.558 12.885 1.314 1.00 14.44 H new ATOM 0 HD23 LEU A 45 -14.121 12.717 3.031 1.00 14.44 H new ATOM 531 N ILE A 46 -18.478 10.354 4.110 1.00 11.51 N ATOM 532 CA ILE A 46 -19.904 10.698 4.194 1.00 24.32 C ATOM 533 C ILE A 46 -20.139 11.591 5.412 1.00 34.21 C ATOM 534 O ILE A 46 -20.829 12.593 5.331 1.00 72.03 O ATOM 535 CB ILE A 46 -20.832 9.437 4.235 1.00 22.33 C ATOM 536 CG1 ILE A 46 -20.745 8.643 2.916 1.00 12.14 C ATOM 537 CG2 ILE A 46 -22.287 9.806 4.546 1.00 4.13 C ATOM 538 CD1 ILE A 46 -21.182 9.407 1.678 1.00 52.32 C ATOM 0 H ILE A 46 -18.250 9.389 4.351 1.00 11.51 H new ATOM 0 HA ILE A 46 -20.170 11.238 3.285 1.00 24.32 H new ATOM 0 HB ILE A 46 -20.473 8.803 5.046 1.00 22.33 H new ATOM 0 HG12 ILE A 46 -19.716 8.312 2.776 1.00 12.14 H new ATOM 0 HG13 ILE A 46 -21.359 7.747 3.007 1.00 12.14 H new ATOM 0 HG21 ILE A 46 -22.896 8.902 4.565 1.00 4.13 H new ATOM 0 HG22 ILE A 46 -22.338 10.298 5.517 1.00 4.13 H new ATOM 0 HG23 ILE A 46 -22.663 10.481 3.777 1.00 4.13 H new ATOM 0 HD11 ILE A 46 -21.085 8.766 0.802 1.00 52.32 H new ATOM 0 HD12 ILE A 46 -22.222 9.715 1.789 1.00 52.32 H new ATOM 0 HD13 ILE A 46 -20.553 10.289 1.554 1.00 52.32 H new ATOM 550 N GLN A 47 -19.472 11.255 6.507 1.00 32.42 N ATOM 551 CA GLN A 47 -19.569 12.021 7.752 1.00 60.30 C ATOM 552 C GLN A 47 -18.782 13.321 7.636 1.00 35.01 C ATOM 553 O GLN A 47 -18.943 14.235 8.437 1.00 71.00 O ATOM 554 CB GLN A 47 -19.068 11.202 8.951 1.00 60.43 C ATOM 555 CG GLN A 47 -19.835 9.898 9.210 1.00 12.12 C ATOM 556 CD GLN A 47 -21.308 10.087 9.572 1.00 62.12 C ATOM 557 OE1 GLN A 47 -21.962 11.021 9.155 1.00 63.12 O ATOM 558 NE2 GLN A 47 -21.832 9.182 10.357 1.00 72.55 N ATOM 0 H GLN A 47 -18.850 10.449 6.563 1.00 32.42 H new ATOM 0 HA GLN A 47 -20.620 12.256 7.920 1.00 60.30 H new ATOM 0 HB2 GLN A 47 -18.016 10.963 8.795 1.00 60.43 H new ATOM 0 HB3 GLN A 47 -19.124 11.823 9.845 1.00 60.43 H new ATOM 0 HG2 GLN A 47 -19.771 9.271 8.321 1.00 12.12 H new ATOM 0 HG3 GLN A 47 -19.343 9.357 10.018 1.00 12.12 H new ATOM 0 HE21 GLN A 47 -21.261 8.407 10.694 1.00 72.55 H new ATOM 0 HE22 GLN A 47 -22.812 9.251 10.632 1.00 72.55 H new ATOM 567 N ALA A 48 -17.908 13.379 6.638 1.00 42.43 N ATOM 568 CA ALA A 48 -17.183 14.592 6.327 1.00 33.53 C ATOM 569 C ALA A 48 -18.130 15.570 5.641 1.00 43.21 C ATOM 570 O ALA A 48 -17.889 16.772 5.608 1.00 61.04 O ATOM 571 CB ALA A 48 -15.975 14.292 5.447 1.00 44.22 C ATOM 0 H ALA A 48 -17.687 12.590 6.030 1.00 42.43 H new ATOM 0 HA ALA A 48 -16.809 15.038 7.248 1.00 33.53 H new ATOM 0 HB1 ALA A 48 -15.446 15.219 5.227 1.00 44.22 H new ATOM 0 HB2 ALA A 48 -15.306 13.608 5.969 1.00 44.22 H new ATOM 0 HB3 ALA A 48 -16.308 13.834 4.516 1.00 44.22 H new ATOM 577 N GLY A 49 -19.207 15.028 5.091 1.00 70.14 N ATOM 578 CA GLY A 49 -20.239 15.838 4.521 1.00 34.43 C ATOM 579 C GLY A 49 -20.348 15.778 3.009 1.00 31.42 C ATOM 580 O GLY A 49 -20.870 16.714 2.396 1.00 22.50 O ATOM 0 H GLY A 49 -19.376 14.024 5.034 1.00 70.14 H new ATOM 0 HA2 GLY A 49 -21.194 15.536 4.950 1.00 34.43 H new ATOM 0 HA3 GLY A 49 -20.070 16.874 4.816 1.00 34.43 H new ATOM 584 N LEU A 50 -19.855 14.710 2.384 1.00 31.31 N ATOM 585 CA LEU A 50 -20.009 14.572 0.939 1.00 43.44 C ATOM 586 C LEU A 50 -21.447 14.313 0.569 1.00 65.01 C ATOM 587 O LEU A 50 -21.996 13.246 0.872 1.00 70.41 O ATOM 588 CB LEU A 50 -19.147 13.462 0.343 1.00 42.11 C ATOM 589 CG LEU A 50 -17.638 13.701 0.289 1.00 23.01 C ATOM 590 CD1 LEU A 50 -17.005 12.516 -0.328 1.00 30.24 C ATOM 591 CD2 LEU A 50 -17.291 14.915 -0.561 1.00 1.00 C ATOM 0 H LEU A 50 -19.358 13.946 2.842 1.00 31.31 H new ATOM 0 HA LEU A 50 -19.674 15.521 0.521 1.00 43.44 H new ATOM 0 HB2 LEU A 50 -19.324 12.552 0.916 1.00 42.11 H new ATOM 0 HB3 LEU A 50 -19.495 13.272 -0.672 1.00 42.11 H new ATOM 0 HG LEU A 50 -17.281 13.874 1.304 1.00 23.01 H new ATOM 0 HD11 LEU A 50 -15.926 12.664 -0.377 1.00 30.24 H new ATOM 0 HD12 LEU A 50 -17.223 11.633 0.273 1.00 30.24 H new ATOM 0 HD13 LEU A 50 -17.398 12.376 -1.335 1.00 30.24 H new ATOM 0 HD21 LEU A 50 -16.210 15.052 -0.575 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -17.651 14.762 -1.578 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -17.764 15.802 -0.139 1.00 1.00 H new ATOM 603 N ASP A 51 -22.075 15.290 -0.057 1.00 34.45 N ATOM 604 CA ASP A 51 -23.423 15.101 -0.559 1.00 1.50 C ATOM 605 C ASP A 51 -23.340 14.249 -1.800 1.00 33.22 C ATOM 606 O ASP A 51 -22.258 14.053 -2.344 1.00 31.05 O ATOM 607 CB ASP A 51 -24.129 16.428 -0.882 1.00 41.41 C ATOM 608 CG ASP A 51 -23.441 17.215 -1.966 1.00 71.12 C ATOM 609 OD1 ASP A 51 -23.603 16.883 -3.155 1.00 73.45 O ATOM 610 OD2 ASP A 51 -22.722 18.158 -1.633 1.00 32.22 O1- ATOM 0 H ASP A 51 -21.679 16.214 -0.229 1.00 34.45 H new ATOM 0 HA ASP A 51 -24.016 14.617 0.217 1.00 1.50 H new ATOM 0 HB2 ASP A 51 -25.155 16.222 -1.187 1.00 41.41 H new ATOM 0 HB3 ASP A 51 -24.181 17.035 0.022 1.00 41.41 H new ATOM 615 N SER A 52 -24.454 13.783 -2.286 1.00 30.11 N ATOM 616 CA SER A 52 -24.425 12.874 -3.393 1.00 74.13 C ATOM 617 C SER A 52 -24.075 13.513 -4.743 1.00 73.54 C ATOM 618 O SER A 52 -23.733 12.798 -5.672 1.00 54.10 O ATOM 619 CB SER A 52 -25.661 12.025 -3.451 1.00 52.52 C ATOM 620 OG SER A 52 -25.805 11.303 -2.230 1.00 73.24 O ATOM 0 H SER A 52 -25.384 14.015 -1.937 1.00 30.11 H new ATOM 0 HA SER A 52 -23.583 12.211 -3.193 1.00 74.13 H new ATOM 0 HB2 SER A 52 -26.537 12.652 -3.620 1.00 52.52 H new ATOM 0 HB3 SER A 52 -25.599 11.332 -4.290 1.00 52.52 H new ATOM 0 HG SER A 52 -26.735 11.012 -2.130 1.00 73.24 H new ATOM 626 N ILE A 53 -24.115 14.836 -4.858 1.00 11.24 N ATOM 627 CA ILE A 53 -23.693 15.446 -6.102 1.00 72.30 C ATOM 628 C ILE A 53 -22.200 15.493 -6.075 1.00 4.05 C ATOM 629 O ILE A 53 -21.553 15.087 -7.015 1.00 32.32 O ATOM 630 CB ILE A 53 -24.232 16.876 -6.348 1.00 41.42 C ATOM 631 CG1 ILE A 53 -25.777 16.896 -6.335 1.00 71.13 C ATOM 632 CG2 ILE A 53 -23.685 17.413 -7.691 1.00 32.53 C ATOM 633 CD1 ILE A 53 -26.434 16.003 -7.379 1.00 42.11 C ATOM 0 H ILE A 53 -24.424 15.482 -4.132 1.00 11.24 H new ATOM 0 HA ILE A 53 -24.100 14.842 -6.913 1.00 72.30 H new ATOM 0 HB ILE A 53 -23.889 17.524 -5.542 1.00 41.42 H new ATOM 0 HG12 ILE A 53 -26.122 16.591 -5.347 1.00 71.13 H new ATOM 0 HG13 ILE A 53 -26.115 17.921 -6.489 1.00 71.13 H new ATOM 0 HG21 ILE A 53 -24.066 18.420 -7.862 1.00 32.53 H new ATOM 0 HG22 ILE A 53 -22.596 17.438 -7.656 1.00 32.53 H new ATOM 0 HG23 ILE A 53 -24.007 16.760 -8.502 1.00 32.53 H new ATOM 0 HD11 ILE A 53 -27.518 16.082 -7.295 1.00 42.11 H new ATOM 0 HD12 ILE A 53 -26.124 16.319 -8.375 1.00 42.11 H new ATOM 0 HD13 ILE A 53 -26.131 14.969 -7.215 1.00 42.11 H new ATOM 645 N ARG A 54 -21.652 15.935 -4.952 1.00 3.43 N ATOM 646 CA ARG A 54 -20.207 15.947 -4.762 1.00 43.11 C ATOM 647 C ARG A 54 -19.631 14.548 -4.712 1.00 32.23 C ATOM 648 O ARG A 54 -18.456 14.340 -4.944 1.00 62.35 O ATOM 649 CB ARG A 54 -19.769 16.793 -3.572 1.00 55.21 C ATOM 650 CG ARG A 54 -19.595 18.262 -3.922 1.00 3.20 C ATOM 651 CD ARG A 54 -19.236 19.092 -2.708 1.00 12.24 C ATOM 652 NE ARG A 54 -20.372 19.270 -1.821 1.00 21.25 N ATOM 653 CZ ARG A 54 -20.438 20.080 -0.773 1.00 15.45 C ATOM 654 NH1 ARG A 54 -19.402 20.866 -0.433 1.00 11.34 N1+ ATOM 655 NH2 ARG A 54 -21.555 20.097 -0.066 1.00 24.54 N ATOM 0 H ARG A 54 -22.185 16.290 -4.158 1.00 3.43 H new ATOM 0 HA ARG A 54 -19.790 16.434 -5.643 1.00 43.11 H new ATOM 0 HB2 ARG A 54 -20.507 16.700 -2.775 1.00 55.21 H new ATOM 0 HB3 ARG A 54 -18.828 16.404 -3.183 1.00 55.21 H new ATOM 0 HG2 ARG A 54 -18.815 18.366 -4.676 1.00 3.20 H new ATOM 0 HG3 ARG A 54 -20.517 18.642 -4.362 1.00 3.20 H new ATOM 0 HD2 ARG A 54 -18.423 18.609 -2.165 1.00 12.24 H new ATOM 0 HD3 ARG A 54 -18.870 20.067 -3.030 1.00 12.24 H new ATOM 0 HE ARG A 54 -21.204 18.716 -2.025 1.00 21.25 H new ATOM 0 HH11 ARG A 54 -18.544 20.847 -0.985 1.00 11.34 H new ATOM 0 HH12 ARG A 54 -19.473 21.482 0.377 1.00 11.34 H new ATOM 0 HH21 ARG A 54 -22.336 19.497 -0.332 1.00 24.54 H new ATOM 0 HH22 ARG A 54 -21.636 20.710 0.746 1.00 24.54 H new ATOM 669 N LEU A 55 -20.473 13.606 -4.422 1.00 21.41 N ATOM 670 CA LEU A 55 -20.098 12.223 -4.425 1.00 21.41 C ATOM 671 C LEU A 55 -20.068 11.726 -5.885 1.00 65.43 C ATOM 672 O LEU A 55 -19.132 11.055 -6.315 1.00 74.10 O ATOM 673 CB LEU A 55 -21.129 11.419 -3.624 1.00 41.44 C ATOM 674 CG LEU A 55 -20.620 10.170 -2.915 1.00 75.14 C ATOM 675 CD1 LEU A 55 -19.605 10.537 -1.862 1.00 62.34 C ATOM 676 CD2 LEU A 55 -21.759 9.454 -2.261 1.00 41.15 C ATOM 0 H LEU A 55 -21.448 13.774 -4.174 1.00 21.41 H new ATOM 0 HA LEU A 55 -19.115 12.096 -3.972 1.00 21.41 H new ATOM 0 HB2 LEU A 55 -21.570 12.079 -2.877 1.00 41.44 H new ATOM 0 HB3 LEU A 55 -21.931 11.124 -4.301 1.00 41.44 H new ATOM 0 HG LEU A 55 -20.152 9.523 -3.657 1.00 75.14 H new ATOM 0 HD11 LEU A 55 -19.252 9.633 -1.366 1.00 62.34 H new ATOM 0 HD12 LEU A 55 -18.763 11.046 -2.330 1.00 62.34 H new ATOM 0 HD13 LEU A 55 -20.065 11.198 -1.128 1.00 62.34 H new ATOM 0 HD21 LEU A 55 -21.387 8.562 -1.756 1.00 41.15 H new ATOM 0 HD22 LEU A 55 -22.232 10.112 -1.532 1.00 41.15 H new ATOM 0 HD23 LEU A 55 -22.489 9.165 -3.017 1.00 41.15 H new ATOM 688 N MET A 56 -21.073 12.137 -6.661 1.00 4.00 N ATOM 689 CA MET A 56 -21.231 11.674 -8.044 1.00 71.24 C ATOM 690 C MET A 56 -20.305 12.443 -8.958 1.00 65.04 C ATOM 691 O MET A 56 -19.990 12.005 -10.070 1.00 54.34 O ATOM 692 CB MET A 56 -22.692 11.780 -8.490 1.00 32.41 C ATOM 693 CG MET A 56 -22.979 11.192 -9.866 1.00 15.22 C ATOM 694 SD MET A 56 -24.741 11.110 -10.235 1.00 54.21 S ATOM 695 CE MET A 56 -25.302 10.010 -8.932 1.00 11.20 C ATOM 0 H MET A 56 -21.793 12.792 -6.355 1.00 4.00 H new ATOM 0 HA MET A 56 -20.956 10.621 -8.099 1.00 71.24 H new ATOM 0 HB2 MET A 56 -23.320 11.276 -7.756 1.00 32.41 H new ATOM 0 HB3 MET A 56 -22.983 12.830 -8.490 1.00 32.41 H new ATOM 0 HG2 MET A 56 -22.481 11.795 -10.625 1.00 15.22 H new ATOM 0 HG3 MET A 56 -22.553 10.190 -9.924 1.00 15.22 H new ATOM 0 HE1 MET A 56 -26.208 9.496 -9.254 1.00 11.20 H new ATOM 0 HE2 MET A 56 -24.526 9.276 -8.716 1.00 11.20 H new ATOM 0 HE3 MET A 56 -25.514 10.589 -8.033 1.00 11.20 H new ATOM 705 N ARG A 57 -19.861 13.582 -8.452 1.00 60.42 N ATOM 706 CA ARG A 57 -18.848 14.422 -9.054 1.00 33.13 C ATOM 707 C ARG A 57 -17.663 13.570 -9.482 1.00 61.13 C ATOM 708 O ARG A 57 -17.117 13.714 -10.583 1.00 21.34 O ATOM 709 CB ARG A 57 -18.352 15.406 -7.988 1.00 61.23 C ATOM 710 CG ARG A 57 -19.026 16.759 -7.988 1.00 24.22 C ATOM 711 CD ARG A 57 -18.415 17.638 -9.054 1.00 64.22 C ATOM 712 NE ARG A 57 -16.990 17.853 -8.760 1.00 71.01 N ATOM 713 CZ ARG A 57 -15.960 17.478 -9.524 1.00 62.34 C ATOM 714 NH1 ARG A 57 -16.170 16.888 -10.712 1.00 74.32 N1+ ATOM 715 NH2 ARG A 57 -14.730 17.667 -9.090 1.00 24.32 N ATOM 0 H ARG A 57 -20.214 13.959 -7.573 1.00 60.42 H new ATOM 0 HA ARG A 57 -19.266 14.941 -9.917 1.00 33.13 H new ATOM 0 HB2 ARG A 57 -18.489 14.951 -7.007 1.00 61.23 H new ATOM 0 HB3 ARG A 57 -17.281 15.553 -8.125 1.00 61.23 H new ATOM 0 HG2 ARG A 57 -20.095 16.643 -8.169 1.00 24.22 H new ATOM 0 HG3 ARG A 57 -18.917 17.229 -7.011 1.00 24.22 H new ATOM 0 HD2 ARG A 57 -18.528 17.172 -10.033 1.00 64.22 H new ATOM 0 HD3 ARG A 57 -18.937 18.594 -9.094 1.00 64.22 H new ATOM 0 HE ARG A 57 -16.767 18.335 -7.889 1.00 71.01 H new ATOM 0 HH11 ARG A 57 -17.122 16.723 -11.038 1.00 74.32 H new ATOM 0 HH12 ARG A 57 -15.377 16.605 -11.288 1.00 74.32 H new ATOM 0 HH21 ARG A 57 -14.571 18.096 -8.178 1.00 24.32 H new ATOM 0 HH22 ARG A 57 -13.937 17.384 -9.666 1.00 24.32 H new ATOM 729 N TRP A 58 -17.309 12.669 -8.596 1.00 43.21 N ATOM 730 CA TRP A 58 -16.183 11.809 -8.751 1.00 31.41 C ATOM 731 C TRP A 58 -16.467 10.569 -9.579 1.00 14.43 C ATOM 732 O TRP A 58 -15.564 10.047 -10.210 1.00 14.12 O ATOM 733 CB TRP A 58 -15.650 11.421 -7.397 1.00 40.40 C ATOM 734 CG TRP A 58 -15.185 12.586 -6.588 1.00 42.22 C ATOM 735 CD1 TRP A 58 -15.570 12.917 -5.319 1.00 43.30 C ATOM 736 CD2 TRP A 58 -14.263 13.603 -7.008 1.00 62.15 C ATOM 737 NE1 TRP A 58 -14.905 14.023 -4.904 1.00 52.05 N ATOM 738 CE2 TRP A 58 -14.093 14.471 -5.930 1.00 13.34 C ATOM 739 CE3 TRP A 58 -13.544 13.845 -8.192 1.00 11.33 C ATOM 740 CZ2 TRP A 58 -13.231 15.561 -5.999 1.00 70.20 C ATOM 741 CZ3 TRP A 58 -12.705 14.929 -8.250 1.00 65.24 C ATOM 742 CH2 TRP A 58 -12.550 15.768 -7.160 1.00 12.41 C ATOM 0 H TRP A 58 -17.818 12.518 -7.725 1.00 43.21 H new ATOM 0 HA TRP A 58 -15.435 12.375 -9.306 1.00 31.41 H new ATOM 0 HB2 TRP A 58 -16.428 10.893 -6.846 1.00 40.40 H new ATOM 0 HB3 TRP A 58 -14.822 10.724 -7.527 1.00 40.40 H new ATOM 0 HD1 TRP A 58 -16.298 12.376 -4.732 1.00 43.30 H new ATOM 0 HE1 TRP A 58 -14.990 14.455 -3.984 1.00 52.05 H new ATOM 0 HE3 TRP A 58 -13.651 13.188 -9.042 1.00 11.33 H new ATOM 0 HZ2 TRP A 58 -13.106 16.224 -5.156 1.00 70.20 H new ATOM 0 HZ3 TRP A 58 -12.158 15.131 -9.159 1.00 65.24 H new ATOM 0 HH2 TRP A 58 -11.873 16.606 -7.232 1.00 12.41 H new ATOM 753 N LEU A 59 -17.716 10.131 -9.613 1.00 21.22 N ATOM 754 CA LEU A 59 -18.101 8.885 -10.296 1.00 52.33 C ATOM 755 C LEU A 59 -17.661 8.899 -11.766 1.00 21.42 C ATOM 756 O LEU A 59 -17.127 7.903 -12.282 1.00 42.22 O ATOM 757 CB LEU A 59 -19.638 8.639 -10.127 1.00 23.54 C ATOM 758 CG LEU A 59 -20.265 7.311 -10.667 1.00 12.42 C ATOM 759 CD1 LEU A 59 -20.418 7.301 -12.186 1.00 13.10 C ATOM 760 CD2 LEU A 59 -19.455 6.102 -10.212 1.00 53.21 C ATOM 0 H LEU A 59 -18.496 10.620 -9.173 1.00 21.22 H new ATOM 0 HA LEU A 59 -17.581 8.047 -9.833 1.00 52.33 H new ATOM 0 HB2 LEU A 59 -19.864 8.699 -9.062 1.00 23.54 H new ATOM 0 HB3 LEU A 59 -20.157 9.467 -10.610 1.00 23.54 H new ATOM 0 HG LEU A 59 -21.268 7.252 -10.243 1.00 12.42 H new ATOM 0 HD11 LEU A 59 -20.858 6.355 -12.501 1.00 13.10 H new ATOM 0 HD12 LEU A 59 -21.066 8.122 -12.492 1.00 13.10 H new ATOM 0 HD13 LEU A 59 -19.439 7.419 -12.651 1.00 13.10 H new ATOM 0 HD21 LEU A 59 -19.911 5.191 -10.600 1.00 53.21 H new ATOM 0 HD22 LEU A 59 -18.435 6.185 -10.587 1.00 53.21 H new ATOM 0 HD23 LEU A 59 -19.439 6.064 -9.123 1.00 53.21 H new ATOM 772 N HIS A 60 -17.844 10.024 -12.420 1.00 64.45 N ATOM 773 CA HIS A 60 -17.451 10.147 -13.811 1.00 43.13 C ATOM 774 C HIS A 60 -15.942 10.427 -13.903 1.00 43.52 C ATOM 775 O HIS A 60 -15.284 10.053 -14.871 1.00 54.20 O ATOM 776 CB HIS A 60 -18.258 11.262 -14.503 1.00 72.50 C ATOM 777 CG HIS A 60 -18.059 11.328 -15.994 1.00 12.42 C ATOM 778 ND1 HIS A 60 -17.254 12.250 -16.632 1.00 71.54 N ATOM 779 CD2 HIS A 60 -18.587 10.557 -16.974 1.00 55.34 C ATOM 780 CE1 HIS A 60 -17.319 12.013 -17.945 1.00 22.33 C ATOM 781 NE2 HIS A 60 -18.115 10.995 -18.205 1.00 2.42 N ATOM 0 H HIS A 60 -18.260 10.864 -12.017 1.00 64.45 H new ATOM 0 HA HIS A 60 -17.664 9.210 -14.325 1.00 43.13 H new ATOM 0 HB2 HIS A 60 -19.317 11.112 -14.295 1.00 72.50 H new ATOM 0 HB3 HIS A 60 -17.980 12.222 -14.067 1.00 72.50 H new ATOM 0 HD2 HIS A 60 -19.267 9.732 -16.823 1.00 55.34 H new ATOM 0 HE1 HIS A 60 -16.789 12.581 -18.695 1.00 22.33 H new ATOM 0 HE2 HIS A 60 -18.339 10.608 -19.122 1.00 2.42 H new ATOM 789 N TRP A 61 -15.404 11.029 -12.854 1.00 33.50 N ATOM 790 CA TRP A 61 -14.007 11.421 -12.805 1.00 31.35 C ATOM 791 C TRP A 61 -13.121 10.172 -12.794 1.00 65.44 C ATOM 792 O TRP A 61 -12.116 10.123 -13.480 1.00 15.43 O ATOM 793 CB TRP A 61 -13.741 12.289 -11.562 1.00 61.12 C ATOM 794 CG TRP A 61 -12.427 13.018 -11.577 1.00 30.44 C ATOM 795 CD1 TRP A 61 -12.230 14.311 -11.934 1.00 53.22 C ATOM 796 CD2 TRP A 61 -11.141 12.507 -11.221 1.00 30.10 C ATOM 797 NE1 TRP A 61 -10.908 14.638 -11.842 1.00 63.12 N ATOM 798 CE2 TRP A 61 -10.216 13.551 -11.403 1.00 32.32 C ATOM 799 CE3 TRP A 61 -10.681 11.274 -10.772 1.00 40.22 C ATOM 800 CZ2 TRP A 61 -8.866 13.397 -11.153 1.00 34.31 C ATOM 801 CZ3 TRP A 61 -9.345 11.125 -10.525 1.00 3.21 C ATOM 802 CH2 TRP A 61 -8.451 12.181 -10.716 1.00 23.14 C ATOM 0 H TRP A 61 -15.928 11.260 -12.010 1.00 33.50 H new ATOM 0 HA TRP A 61 -13.768 12.012 -13.689 1.00 31.35 H new ATOM 0 HB2 TRP A 61 -14.545 13.019 -11.466 1.00 61.12 H new ATOM 0 HB3 TRP A 61 -13.779 11.654 -10.677 1.00 61.12 H new ATOM 0 HD1 TRP A 61 -13.011 14.988 -12.248 1.00 53.22 H new ATOM 0 HE1 TRP A 61 -10.505 15.548 -12.066 1.00 63.12 H new ATOM 0 HE3 TRP A 61 -11.365 10.452 -10.622 1.00 40.22 H new ATOM 0 HZ2 TRP A 61 -8.170 14.210 -11.299 1.00 34.31 H new ATOM 0 HZ3 TRP A 61 -8.974 10.173 -10.176 1.00 3.21 H new ATOM 0 HH2 TRP A 61 -7.402 12.026 -10.511 1.00 23.14 H new ATOM 813 N PHE A 62 -13.511 9.167 -12.017 1.00 71.30 N ATOM 814 CA PHE A 62 -12.784 7.890 -11.977 1.00 63.52 C ATOM 815 C PHE A 62 -12.712 7.277 -13.358 1.00 5.24 C ATOM 816 O PHE A 62 -11.649 6.910 -13.862 1.00 4.44 O ATOM 817 CB PHE A 62 -13.490 6.876 -11.066 1.00 2.21 C ATOM 818 CG PHE A 62 -13.343 7.112 -9.605 1.00 54.14 C ATOM 819 CD1 PHE A 62 -14.308 7.772 -8.884 1.00 12.54 C ATOM 820 CD2 PHE A 62 -12.238 6.647 -8.953 1.00 60.44 C ATOM 821 CE1 PHE A 62 -14.167 7.962 -7.533 1.00 3.41 C ATOM 822 CE2 PHE A 62 -12.083 6.833 -7.604 1.00 13.53 C ATOM 823 CZ PHE A 62 -13.047 7.490 -6.896 1.00 11.22 C ATOM 0 H PHE A 62 -14.325 9.206 -11.404 1.00 71.30 H new ATOM 0 HA PHE A 62 -11.786 8.107 -11.596 1.00 63.52 H new ATOM 0 HB2 PHE A 62 -14.552 6.874 -11.310 1.00 2.21 H new ATOM 0 HB3 PHE A 62 -13.108 5.881 -11.295 1.00 2.21 H new ATOM 0 HD1 PHE A 62 -15.188 8.146 -9.387 1.00 12.54 H new ATOM 0 HD2 PHE A 62 -11.474 6.124 -9.509 1.00 60.44 H new ATOM 0 HE1 PHE A 62 -14.933 8.480 -6.974 1.00 3.41 H new ATOM 0 HE2 PHE A 62 -11.201 6.461 -7.103 1.00 13.53 H new ATOM 0 HZ PHE A 62 -12.928 7.639 -5.833 1.00 11.22 H new ATOM 833 N ARG A 63 -13.842 7.235 -13.981 1.00 52.01 N ATOM 834 CA ARG A 63 -14.013 6.557 -15.231 1.00 1.15 C ATOM 835 C ARG A 63 -13.310 7.243 -16.410 1.00 63.53 C ATOM 836 O ARG A 63 -13.172 6.644 -17.460 1.00 61.34 O ATOM 837 CB ARG A 63 -15.482 6.237 -15.483 1.00 42.13 C ATOM 838 CG ARG A 63 -16.080 5.357 -14.397 1.00 2.24 C ATOM 839 CD ARG A 63 -17.535 5.040 -14.662 1.00 14.03 C ATOM 840 NE ARG A 63 -18.090 4.135 -13.635 1.00 72.02 N ATOM 841 CZ ARG A 63 -19.190 3.384 -13.776 1.00 62.11 C ATOM 842 NH1 ARG A 63 -19.916 3.454 -14.899 1.00 2.23 N1+ ATOM 843 NH2 ARG A 63 -19.559 2.566 -12.789 1.00 3.11 N ATOM 0 H ARG A 63 -14.692 7.678 -13.632 1.00 52.01 H new ATOM 0 HA ARG A 63 -13.494 5.602 -15.149 1.00 1.15 H new ATOM 0 HB2 ARG A 63 -16.048 7.167 -15.545 1.00 42.13 H new ATOM 0 HB3 ARG A 63 -15.582 5.738 -16.447 1.00 42.13 H new ATOM 0 HG2 ARG A 63 -15.513 4.428 -14.330 1.00 2.24 H new ATOM 0 HG3 ARG A 63 -15.988 5.857 -13.433 1.00 2.24 H new ATOM 0 HD2 ARG A 63 -18.112 5.965 -14.683 1.00 14.03 H new ATOM 0 HD3 ARG A 63 -17.635 4.580 -15.645 1.00 14.03 H new ATOM 0 HE ARG A 63 -17.595 4.077 -12.745 1.00 72.02 H new ATOM 0 HH11 ARG A 63 -19.632 4.081 -15.652 1.00 2.23 H new ATOM 0 HH12 ARG A 63 -20.753 2.880 -15.002 1.00 2.23 H new ATOM 0 HH21 ARG A 63 -19.005 2.516 -11.934 1.00 3.11 H new ATOM 0 HH22 ARG A 63 -20.396 1.991 -12.889 1.00 3.11 H new ATOM 857 N LYS A 64 -12.857 8.495 -16.218 1.00 44.14 N ATOM 858 CA LYS A 64 -12.132 9.243 -17.268 1.00 2.44 C ATOM 859 C LYS A 64 -10.846 8.473 -17.704 1.00 61.45 C ATOM 860 O LYS A 64 -10.416 8.568 -18.841 1.00 63.24 O ATOM 861 CB LYS A 64 -11.754 10.668 -16.773 1.00 0.12 C ATOM 862 CG LYS A 64 -10.483 10.713 -15.947 1.00 41.25 C ATOM 863 CD LYS A 64 -10.200 12.063 -15.330 1.00 61.41 C ATOM 864 CE LYS A 64 -8.772 12.100 -14.795 1.00 63.34 C ATOM 865 NZ LYS A 64 -8.455 10.938 -13.924 1.00 32.23 N1+ ATOM 0 H LYS A 64 -12.979 9.012 -15.347 1.00 44.14 H new ATOM 0 HA LYS A 64 -12.795 9.338 -18.128 1.00 2.44 H new ATOM 0 HB2 LYS A 64 -11.638 11.323 -17.636 1.00 0.12 H new ATOM 0 HB3 LYS A 64 -12.577 11.066 -16.179 1.00 0.12 H new ATOM 0 HG2 LYS A 64 -10.551 9.969 -15.153 1.00 41.25 H new ATOM 0 HG3 LYS A 64 -9.641 10.430 -16.578 1.00 41.25 H new ATOM 0 HD2 LYS A 64 -10.340 12.849 -16.073 1.00 61.41 H new ATOM 0 HD3 LYS A 64 -10.905 12.259 -14.522 1.00 61.41 H new ATOM 0 HE2 LYS A 64 -8.075 12.122 -15.633 1.00 63.34 H new ATOM 0 HE3 LYS A 64 -8.623 13.022 -14.233 1.00 63.34 H new ATOM 0 HZ1 LYS A 64 -7.603 11.145 -13.365 1.00 32.23 H new ATOM 0 HZ2 LYS A 64 -9.254 10.756 -13.283 1.00 32.23 H new ATOM 0 HZ3 LYS A 64 -8.286 10.098 -14.514 1.00 32.23 H new ATOM 879 N ASN A 65 -10.256 7.708 -16.770 1.00 32.41 N ATOM 880 CA ASN A 65 -9.048 6.903 -17.059 1.00 14.01 C ATOM 881 C ASN A 65 -9.431 5.457 -17.191 1.00 12.52 C ATOM 882 O ASN A 65 -8.574 4.582 -17.279 1.00 31.51 O ATOM 883 CB ASN A 65 -7.996 6.989 -15.931 1.00 70.42 C ATOM 884 CG ASN A 65 -7.264 8.309 -15.791 1.00 22.24 C ATOM 885 OD1 ASN A 65 -7.770 9.360 -16.129 1.00 64.25 O ATOM 886 ND2 ASN A 65 -6.077 8.262 -15.237 1.00 61.33 N ATOM 0 H ASN A 65 -10.592 7.627 -15.810 1.00 32.41 H new ATOM 0 HA ASN A 65 -8.620 7.302 -17.978 1.00 14.01 H new ATOM 0 HB2 ASN A 65 -8.491 6.771 -14.985 1.00 70.42 H new ATOM 0 HB3 ASN A 65 -7.257 6.204 -16.092 1.00 70.42 H new ATOM 0 HD21 ASN A 65 -5.553 9.123 -15.080 1.00 61.33 H new ATOM 0 HD22 ASN A 65 -5.677 7.364 -14.963 1.00 61.33 H new ATOM 893 N GLY A 66 -10.717 5.207 -17.200 1.00 21.23 N ATOM 894 CA GLY A 66 -11.199 3.858 -17.231 1.00 11.14 C ATOM 895 C GLY A 66 -11.106 3.204 -15.870 1.00 25.03 C ATOM 896 O GLY A 66 -10.898 1.988 -15.767 1.00 24.32 O ATOM 0 H GLY A 66 -11.444 5.922 -17.186 1.00 21.23 H new ATOM 0 HA2 GLY A 66 -12.235 3.848 -17.570 1.00 11.14 H new ATOM 0 HA3 GLY A 66 -10.622 3.281 -17.953 1.00 11.14 H new ATOM 900 N TYR A 67 -11.237 4.002 -14.805 1.00 51.24 N ATOM 901 CA TYR A 67 -11.198 3.430 -13.485 1.00 63.24 C ATOM 902 C TYR A 67 -12.451 2.705 -13.146 1.00 50.40 C ATOM 903 O TYR A 67 -13.501 2.901 -13.769 1.00 21.12 O ATOM 904 CB TYR A 67 -10.717 4.365 -12.387 1.00 51.34 C ATOM 905 CG TYR A 67 -9.264 4.703 -12.539 1.00 35.14 C ATOM 906 CD1 TYR A 67 -8.825 6.006 -12.509 1.00 44.24 C ATOM 907 CD2 TYR A 67 -8.328 3.699 -12.750 1.00 71.25 C ATOM 908 CE1 TYR A 67 -7.492 6.304 -12.682 1.00 71.54 C ATOM 909 CE2 TYR A 67 -7.003 3.987 -12.919 1.00 63.30 C ATOM 910 CZ TYR A 67 -6.586 5.293 -12.886 1.00 54.34 C ATOM 911 OH TYR A 67 -5.256 5.592 -13.081 1.00 74.31 O ATOM 0 H TYR A 67 -11.366 5.013 -14.842 1.00 51.24 H new ATOM 0 HA TYR A 67 -10.408 2.681 -13.532 1.00 63.24 H new ATOM 0 HB2 TYR A 67 -11.307 5.281 -12.406 1.00 51.34 H new ATOM 0 HB3 TYR A 67 -10.882 3.900 -11.415 1.00 51.34 H new ATOM 0 HD1 TYR A 67 -9.534 6.805 -12.348 1.00 44.24 H new ATOM 0 HD2 TYR A 67 -8.654 2.670 -12.781 1.00 71.25 H new ATOM 0 HE1 TYR A 67 -7.160 7.331 -12.657 1.00 71.54 H new ATOM 0 HE2 TYR A 67 -6.289 3.192 -13.077 1.00 63.30 H new ATOM 0 HH TYR A 67 -4.813 5.695 -12.213 1.00 74.31 H new ATOM 921 N ARG A 68 -12.376 1.928 -12.121 1.00 43.33 N ATOM 922 CA ARG A 68 -13.368 0.886 -11.956 1.00 34.21 C ATOM 923 C ARG A 68 -14.077 0.960 -10.648 1.00 65.43 C ATOM 924 O ARG A 68 -13.552 0.476 -9.648 1.00 3.22 O ATOM 925 CB ARG A 68 -12.688 -0.481 -12.043 1.00 61.35 C ATOM 926 CG ARG A 68 -11.748 -0.656 -13.218 1.00 62.33 C ATOM 927 CD ARG A 68 -10.990 -1.949 -13.086 1.00 24.53 C ATOM 928 NE ARG A 68 -9.884 -2.055 -14.041 1.00 42.33 N ATOM 929 CZ ARG A 68 -8.742 -2.718 -13.791 1.00 44.20 C ATOM 930 NH1 ARG A 68 -8.541 -3.261 -12.592 1.00 41.35 N1+ ATOM 931 NH2 ARG A 68 -7.791 -2.802 -14.722 1.00 13.55 N ATOM 0 H ARG A 68 -11.663 1.979 -11.393 1.00 43.33 H new ATOM 0 HA ARG A 68 -14.102 1.026 -12.750 1.00 34.21 H new ATOM 0 HB2 ARG A 68 -12.130 -0.651 -11.122 1.00 61.35 H new ATOM 0 HB3 ARG A 68 -13.458 -1.250 -12.096 1.00 61.35 H new ATOM 0 HG2 ARG A 68 -12.313 -0.650 -14.150 1.00 62.33 H new ATOM 0 HG3 ARG A 68 -11.051 0.180 -13.263 1.00 62.33 H new ATOM 0 HD2 ARG A 68 -10.599 -2.034 -12.072 1.00 24.53 H new ATOM 0 HD3 ARG A 68 -11.675 -2.784 -13.235 1.00 24.53 H new ATOM 0 HE ARG A 68 -9.987 -1.599 -14.948 1.00 42.33 H new ATOM 0 HH11 ARG A 68 -9.253 -3.173 -11.867 1.00 41.35 H new ATOM 0 HH12 ARG A 68 -7.675 -3.765 -12.399 1.00 41.35 H new ATOM 0 HH21 ARG A 68 -7.927 -2.361 -15.632 1.00 13.55 H new ATOM 0 HH22 ARG A 68 -6.927 -3.307 -14.524 1.00 13.55 H new ATOM 945 N LEU A 69 -15.225 1.603 -10.629 1.00 43.42 N ATOM 946 CA LEU A 69 -16.077 1.572 -9.449 1.00 60.53 C ATOM 947 C LEU A 69 -17.455 2.111 -9.713 1.00 51.31 C ATOM 948 O LEU A 69 -17.716 2.760 -10.756 1.00 72.23 O ATOM 949 CB LEU A 69 -15.422 2.232 -8.199 1.00 21.11 C ATOM 950 CG LEU A 69 -14.891 3.665 -8.321 1.00 5.34 C ATOM 951 CD1 LEU A 69 -16.010 4.694 -8.404 1.00 13.22 C ATOM 952 CD2 LEU A 69 -13.963 3.955 -7.165 1.00 2.45 C ATOM 0 H LEU A 69 -15.592 2.150 -11.408 1.00 43.42 H new ATOM 0 HA LEU A 69 -16.194 0.516 -9.207 1.00 60.53 H new ATOM 0 HB2 LEU A 69 -16.157 2.218 -7.394 1.00 21.11 H new ATOM 0 HB3 LEU A 69 -14.593 1.597 -7.885 1.00 21.11 H new ATOM 0 HG LEU A 69 -14.338 3.744 -9.257 1.00 5.34 H new ATOM 0 HD11 LEU A 69 -15.581 5.692 -8.489 1.00 13.22 H new ATOM 0 HD12 LEU A 69 -16.629 4.489 -9.278 1.00 13.22 H new ATOM 0 HD13 LEU A 69 -16.623 4.638 -7.504 1.00 13.22 H new ATOM 0 HD21 LEU A 69 -13.584 4.973 -7.249 1.00 2.45 H new ATOM 0 HD22 LEU A 69 -14.506 3.847 -6.226 1.00 2.45 H new ATOM 0 HD23 LEU A 69 -13.128 3.254 -7.184 1.00 2.45 H new ATOM 964 N THR A 70 -18.331 1.803 -8.823 1.00 53.40 N ATOM 965 CA THR A 70 -19.629 2.339 -8.786 1.00 13.43 C ATOM 966 C THR A 70 -19.697 3.201 -7.534 1.00 34.12 C ATOM 967 O THR A 70 -18.958 2.972 -6.577 1.00 13.14 O ATOM 968 CB THR A 70 -20.716 1.232 -8.731 1.00 42.14 C ATOM 969 OG1 THR A 70 -20.551 0.431 -7.567 1.00 23.45 O ATOM 970 CG2 THR A 70 -20.663 0.344 -9.970 1.00 63.30 C ATOM 0 H THR A 70 -18.145 1.140 -8.071 1.00 53.40 H new ATOM 0 HA THR A 70 -19.824 2.914 -9.691 1.00 13.43 H new ATOM 0 HB THR A 70 -21.687 1.725 -8.697 1.00 42.14 H new ATOM 0 HG1 THR A 70 -19.631 0.094 -7.529 1.00 23.45 H new ATOM 0 HG21 THR A 70 -21.436 -0.422 -9.902 1.00 63.30 H new ATOM 0 HG22 THR A 70 -20.830 0.951 -10.860 1.00 63.30 H new ATOM 0 HG23 THR A 70 -19.685 -0.133 -10.034 1.00 63.30 H new ATOM 978 N LEU A 71 -20.555 4.172 -7.524 1.00 12.42 N ATOM 979 CA LEU A 71 -20.626 5.082 -6.403 1.00 40.13 C ATOM 980 C LEU A 71 -21.241 4.409 -5.194 1.00 52.35 C ATOM 981 O LEU A 71 -20.999 4.805 -4.074 1.00 71.51 O ATOM 982 CB LEU A 71 -21.440 6.270 -6.766 1.00 12.41 C ATOM 983 CG LEU A 71 -21.334 7.469 -5.851 1.00 3.54 C ATOM 984 CD1 LEU A 71 -19.912 7.918 -5.815 1.00 54.03 C ATOM 985 CD2 LEU A 71 -22.245 8.582 -6.325 1.00 3.44 C ATOM 0 H LEU A 71 -21.219 4.363 -8.274 1.00 12.42 H new ATOM 0 HA LEU A 71 -19.610 5.390 -6.154 1.00 40.13 H new ATOM 0 HB2 LEU A 71 -21.157 6.583 -7.771 1.00 12.41 H new ATOM 0 HB3 LEU A 71 -22.486 5.966 -6.809 1.00 12.41 H new ATOM 0 HG LEU A 71 -21.651 7.196 -4.845 1.00 3.54 H new ATOM 0 HD11 LEU A 71 -19.820 8.783 -5.158 1.00 54.03 H new ATOM 0 HD12 LEU A 71 -19.285 7.109 -5.440 1.00 54.03 H new ATOM 0 HD13 LEU A 71 -19.591 8.190 -6.820 1.00 54.03 H new ATOM 0 HD21 LEU A 71 -22.155 9.436 -5.654 1.00 3.44 H new ATOM 0 HD22 LEU A 71 -21.960 8.881 -7.334 1.00 3.44 H new ATOM 0 HD23 LEU A 71 -23.277 8.231 -6.329 1.00 3.44 H new ATOM 997 N ARG A 72 -22.034 3.369 -5.430 1.00 15.02 N ATOM 998 CA ARG A 72 -22.712 2.667 -4.349 1.00 32.21 C ATOM 999 C ARG A 72 -21.699 1.975 -3.441 1.00 15.31 C ATOM 1000 O ARG A 72 -21.976 1.711 -2.280 1.00 62.44 O ATOM 1001 CB ARG A 72 -23.745 1.668 -4.893 1.00 71.45 C ATOM 1002 CG ARG A 72 -24.854 2.287 -5.731 1.00 31.15 C ATOM 1003 CD ARG A 72 -25.608 3.329 -4.943 1.00 62.43 C ATOM 1004 NE ARG A 72 -26.736 3.917 -5.707 1.00 30.22 N ATOM 1005 CZ ARG A 72 -27.199 5.190 -5.579 1.00 74.52 C ATOM 1006 NH1 ARG A 72 -26.595 6.049 -4.751 1.00 33.33 N1+ ATOM 1007 NH2 ARG A 72 -28.260 5.590 -6.291 1.00 34.30 N ATOM 0 H ARG A 72 -22.222 2.995 -6.360 1.00 15.02 H new ATOM 0 HA ARG A 72 -23.253 3.403 -3.755 1.00 32.21 H new ATOM 0 HB2 ARG A 72 -23.226 0.923 -5.496 1.00 71.45 H new ATOM 0 HB3 ARG A 72 -24.196 1.140 -4.053 1.00 71.45 H new ATOM 0 HG2 ARG A 72 -24.429 2.740 -6.626 1.00 31.15 H new ATOM 0 HG3 ARG A 72 -25.541 1.509 -6.063 1.00 31.15 H new ATOM 0 HD2 ARG A 72 -25.990 2.880 -4.026 1.00 62.43 H new ATOM 0 HD3 ARG A 72 -24.922 4.122 -4.647 1.00 62.43 H new ATOM 0 HE ARG A 72 -27.204 3.316 -6.386 1.00 30.22 H new ATOM 0 HH11 ARG A 72 -25.782 5.751 -4.211 1.00 33.33 H new ATOM 0 HH12 ARG A 72 -26.947 7.002 -4.659 1.00 33.33 H new ATOM 0 HH21 ARG A 72 -28.720 4.941 -6.929 1.00 34.30 H new ATOM 0 HH22 ARG A 72 -28.608 6.544 -6.196 1.00 34.30 H new ATOM 1021 N GLU A 73 -20.506 1.771 -3.972 1.00 13.55 N ATOM 1022 CA GLU A 73 -19.406 1.151 -3.209 1.00 33.42 C ATOM 1023 C GLU A 73 -18.807 2.189 -2.283 1.00 0.31 C ATOM 1024 O GLU A 73 -18.387 1.900 -1.162 1.00 4.14 O ATOM 1025 CB GLU A 73 -18.328 0.631 -4.162 1.00 65.11 C ATOM 1026 CG GLU A 73 -18.790 -0.518 -5.023 1.00 33.44 C ATOM 1027 CD GLU A 73 -17.836 -0.847 -6.143 1.00 21.30 C ATOM 1028 OE1 GLU A 73 -17.922 -0.199 -7.200 1.00 20.41 O ATOM 1029 OE2 GLU A 73 -16.995 -1.751 -5.998 1.00 63.31 O1- ATOM 0 H GLU A 73 -20.262 2.022 -4.930 1.00 13.55 H new ATOM 0 HA GLU A 73 -19.794 0.313 -2.630 1.00 33.42 H new ATOM 0 HB2 GLU A 73 -17.998 1.447 -4.805 1.00 65.11 H new ATOM 0 HB3 GLU A 73 -17.462 0.314 -3.580 1.00 65.11 H new ATOM 0 HG2 GLU A 73 -18.923 -1.401 -4.398 1.00 33.44 H new ATOM 0 HG3 GLU A 73 -19.765 -0.277 -5.445 1.00 33.44 H new ATOM 1036 N LEU A 74 -18.860 3.409 -2.748 1.00 31.10 N ATOM 1037 CA LEU A 74 -18.290 4.552 -2.068 1.00 35.12 C ATOM 1038 C LEU A 74 -19.168 5.018 -0.914 1.00 44.34 C ATOM 1039 O LEU A 74 -18.735 5.784 -0.074 1.00 32.35 O ATOM 1040 CB LEU A 74 -18.001 5.667 -3.075 1.00 51.51 C ATOM 1041 CG LEU A 74 -17.080 5.247 -4.238 1.00 40.12 C ATOM 1042 CD1 LEU A 74 -16.761 6.405 -5.157 1.00 75.33 C ATOM 1043 CD2 LEU A 74 -15.811 4.613 -3.718 1.00 3.55 C ATOM 0 H LEU A 74 -19.311 3.646 -3.632 1.00 31.10 H new ATOM 0 HA LEU A 74 -17.342 4.255 -1.619 1.00 35.12 H new ATOM 0 HB2 LEU A 74 -18.946 6.024 -3.485 1.00 51.51 H new ATOM 0 HB3 LEU A 74 -17.544 6.506 -2.550 1.00 51.51 H new ATOM 0 HG LEU A 74 -17.623 4.507 -4.826 1.00 40.12 H new ATOM 0 HD11 LEU A 74 -16.110 6.063 -5.961 1.00 75.33 H new ATOM 0 HD12 LEU A 74 -17.685 6.798 -5.581 1.00 75.33 H new ATOM 0 HD13 LEU A 74 -16.258 7.190 -4.592 1.00 75.33 H new ATOM 0 HD21 LEU A 74 -15.178 4.325 -4.557 1.00 3.55 H new ATOM 0 HD22 LEU A 74 -15.279 5.327 -3.090 1.00 3.55 H new ATOM 0 HD23 LEU A 74 -16.060 3.729 -3.131 1.00 3.55 H new ATOM 1055 N TYR A 75 -20.423 4.585 -0.912 1.00 50.50 N ATOM 1056 CA TYR A 75 -21.306 4.830 0.228 1.00 54.31 C ATOM 1057 C TYR A 75 -21.022 3.800 1.308 1.00 24.45 C ATOM 1058 O TYR A 75 -21.072 4.099 2.495 1.00 62.00 O ATOM 1059 CB TYR A 75 -22.784 4.697 -0.137 1.00 11.43 C ATOM 1060 CG TYR A 75 -23.411 5.782 -0.975 1.00 53.41 C ATOM 1061 CD1 TYR A 75 -23.276 5.797 -2.343 1.00 12.54 C ATOM 1062 CD2 TYR A 75 -24.210 6.753 -0.383 1.00 12.02 C ATOM 1063 CE1 TYR A 75 -23.915 6.737 -3.114 1.00 73.33 C ATOM 1064 CE2 TYR A 75 -24.844 7.713 -1.140 1.00 31.13 C ATOM 1065 CZ TYR A 75 -24.698 7.699 -2.510 1.00 0.43 C ATOM 1066 OH TYR A 75 -25.370 8.615 -3.291 1.00 42.51 O ATOM 0 H TYR A 75 -20.852 4.067 -1.679 1.00 50.50 H new ATOM 0 HA TYR A 75 -21.113 5.849 0.564 1.00 54.31 H new ATOM 0 HB2 TYR A 75 -22.913 3.752 -0.665 1.00 11.43 H new ATOM 0 HB3 TYR A 75 -23.351 4.624 0.791 1.00 11.43 H new ATOM 0 HD1 TYR A 75 -22.655 5.054 -2.821 1.00 12.54 H new ATOM 0 HD2 TYR A 75 -24.336 6.755 0.690 1.00 12.02 H new ATOM 0 HE1 TYR A 75 -23.805 6.723 -4.188 1.00 73.33 H new ATOM 0 HE2 TYR A 75 -25.450 8.470 -0.664 1.00 31.13 H new ATOM 0 HH TYR A 75 -25.442 9.465 -2.809 1.00 42.51 H new ATOM 1076 N ALA A 76 -20.740 2.576 0.867 1.00 53.31 N ATOM 1077 CA ALA A 76 -20.498 1.460 1.766 1.00 62.03 C ATOM 1078 C ALA A 76 -19.174 1.627 2.480 1.00 15.45 C ATOM 1079 O ALA A 76 -19.081 1.459 3.694 1.00 51.01 O ATOM 1080 CB ALA A 76 -20.535 0.143 1.000 1.00 1.42 C ATOM 0 H ALA A 76 -20.674 2.335 -0.122 1.00 53.31 H new ATOM 0 HA ALA A 76 -21.288 1.444 2.516 1.00 62.03 H new ATOM 0 HB1 ALA A 76 -20.352 -0.683 1.687 1.00 1.42 H new ATOM 0 HB2 ALA A 76 -21.514 0.019 0.536 1.00 1.42 H new ATOM 0 HB3 ALA A 76 -19.766 0.150 0.228 1.00 1.42 H new ATOM 1086 N ALA A 77 -18.156 1.963 1.729 1.00 1.11 N ATOM 1087 CA ALA A 77 -16.864 2.218 2.296 1.00 51.25 C ATOM 1088 C ALA A 77 -16.407 3.606 1.889 1.00 0.11 C ATOM 1089 O ALA A 77 -15.722 3.777 0.878 1.00 22.40 O ATOM 1090 CB ALA A 77 -15.856 1.152 1.877 1.00 12.24 C ATOM 0 H ALA A 77 -18.202 2.066 0.715 1.00 1.11 H new ATOM 0 HA ALA A 77 -16.934 2.173 3.383 1.00 51.25 H new ATOM 0 HB1 ALA A 77 -14.886 1.373 2.323 1.00 12.24 H new ATOM 0 HB2 ALA A 77 -16.198 0.174 2.217 1.00 12.24 H new ATOM 0 HB3 ALA A 77 -15.763 1.146 0.791 1.00 12.24 H new ATOM 1096 N PRO A 78 -16.847 4.642 2.604 1.00 0.42 N ATOM 1097 CA PRO A 78 -16.484 5.972 2.275 1.00 4.34 C ATOM 1098 C PRO A 78 -15.295 6.462 3.064 1.00 34.33 C ATOM 1099 O PRO A 78 -15.446 7.079 4.115 1.00 50.43 O ATOM 1100 CB PRO A 78 -17.730 6.780 2.653 1.00 12.01 C ATOM 1101 CG PRO A 78 -18.545 5.879 3.549 1.00 22.54 C ATOM 1102 CD PRO A 78 -17.757 4.608 3.737 1.00 0.42 C ATOM 0 HA PRO A 78 -16.190 6.062 1.229 1.00 4.34 H new ATOM 0 HB2 PRO A 78 -17.458 7.701 3.168 1.00 12.01 H new ATOM 0 HB3 PRO A 78 -18.296 7.065 1.766 1.00 12.01 H new ATOM 0 HG2 PRO A 78 -18.734 6.360 4.509 1.00 22.54 H new ATOM 0 HG3 PRO A 78 -19.516 5.667 3.101 1.00 22.54 H new ATOM 0 HD2 PRO A 78 -17.224 4.596 4.688 1.00 0.42 H new ATOM 0 HD3 PRO A 78 -18.397 3.726 3.719 1.00 0.42 H new ATOM 1110 N THR A 79 -14.142 6.184 2.559 1.00 55.34 N ATOM 1111 CA THR A 79 -12.899 6.655 3.092 1.00 2.30 C ATOM 1112 C THR A 79 -12.015 6.844 1.901 1.00 2.14 C ATOM 1113 O THR A 79 -12.196 6.131 0.913 1.00 70.44 O ATOM 1114 CB THR A 79 -12.240 5.633 4.070 1.00 25.03 C ATOM 1115 OG1 THR A 79 -12.062 4.363 3.438 1.00 51.14 O ATOM 1116 CG2 THR A 79 -13.055 5.453 5.344 1.00 72.32 C ATOM 0 H THR A 79 -14.030 5.600 1.731 1.00 55.34 H new ATOM 0 HA THR A 79 -13.054 7.567 3.669 1.00 2.30 H new ATOM 0 HB THR A 79 -11.267 6.044 4.341 1.00 25.03 H new ATOM 0 HG1 THR A 79 -11.260 3.928 3.797 1.00 51.14 H new ATOM 0 HG21 THR A 79 -12.559 4.733 5.995 1.00 72.32 H new ATOM 0 HG22 THR A 79 -13.140 6.410 5.859 1.00 72.32 H new ATOM 0 HG23 THR A 79 -14.050 5.087 5.091 1.00 72.32 H new ATOM 1124 N LEU A 80 -11.097 7.787 1.945 1.00 44.22 N ATOM 1125 CA LEU A 80 -10.238 8.047 0.797 1.00 62.42 C ATOM 1126 C LEU A 80 -9.530 6.781 0.320 1.00 43.35 C ATOM 1127 O LEU A 80 -9.480 6.496 -0.881 1.00 60.11 O ATOM 1128 CB LEU A 80 -9.196 9.062 1.122 1.00 34.40 C ATOM 1129 CG LEU A 80 -9.656 10.497 1.285 1.00 73.43 C ATOM 1130 CD1 LEU A 80 -8.527 11.324 1.791 1.00 41.02 C ATOM 1131 CD2 LEU A 80 -10.126 11.068 -0.035 1.00 2.34 C ATOM 0 H LEU A 80 -10.923 8.384 2.753 1.00 44.22 H new ATOM 0 HA LEU A 80 -10.891 8.419 0.007 1.00 62.42 H new ATOM 0 HB2 LEU A 80 -8.704 8.758 2.046 1.00 34.40 H new ATOM 0 HB3 LEU A 80 -8.442 9.036 0.336 1.00 34.40 H new ATOM 0 HG LEU A 80 -10.486 10.512 1.992 1.00 73.43 H new ATOM 0 HD11 LEU A 80 -8.856 12.356 1.909 1.00 41.02 H new ATOM 0 HD12 LEU A 80 -8.196 10.937 2.754 1.00 41.02 H new ATOM 0 HD13 LEU A 80 -7.701 11.285 1.081 1.00 41.02 H new ATOM 0 HD21 LEU A 80 -10.451 12.098 0.109 1.00 2.34 H new ATOM 0 HD22 LEU A 80 -9.307 11.043 -0.754 1.00 2.34 H new ATOM 0 HD23 LEU A 80 -10.959 10.475 -0.412 1.00 2.34 H new ATOM 1143 N ALA A 81 -9.025 6.014 1.288 1.00 44.43 N ATOM 1144 CA ALA A 81 -8.299 4.782 1.030 1.00 30.05 C ATOM 1145 C ALA A 81 -9.137 3.797 0.229 1.00 3.32 C ATOM 1146 O ALA A 81 -8.647 3.207 -0.734 1.00 44.32 O ATOM 1147 CB ALA A 81 -7.834 4.159 2.335 1.00 33.34 C ATOM 0 H ALA A 81 -9.112 6.238 2.279 1.00 44.43 H new ATOM 0 HA ALA A 81 -7.423 5.029 0.430 1.00 30.05 H new ATOM 0 HB1 ALA A 81 -7.292 3.237 2.125 1.00 33.34 H new ATOM 0 HB2 ALA A 81 -7.178 4.855 2.857 1.00 33.34 H new ATOM 0 HB3 ALA A 81 -8.699 3.937 2.961 1.00 33.34 H new ATOM 1153 N ALA A 82 -10.407 3.661 0.589 1.00 73.22 N ATOM 1154 CA ALA A 82 -11.296 2.753 -0.113 1.00 1.44 C ATOM 1155 C ALA A 82 -11.491 3.174 -1.557 1.00 42.22 C ATOM 1156 O ALA A 82 -11.335 2.361 -2.450 1.00 12.42 O ATOM 1157 CB ALA A 82 -12.635 2.625 0.582 1.00 11.11 C ATOM 0 H ALA A 82 -10.841 4.167 1.361 1.00 73.22 H new ATOM 0 HA ALA A 82 -10.817 1.774 -0.102 1.00 1.44 H new ATOM 0 HB1 ALA A 82 -13.270 1.937 0.024 1.00 11.11 H new ATOM 0 HB2 ALA A 82 -12.486 2.244 1.592 1.00 11.11 H new ATOM 0 HB3 ALA A 82 -13.115 3.603 0.631 1.00 11.11 H new ATOM 1163 N TRP A 83 -11.781 4.461 -1.793 1.00 73.44 N ATOM 1164 CA TRP A 83 -12.013 4.952 -3.170 1.00 75.22 C ATOM 1165 C TRP A 83 -10.732 4.751 -3.996 1.00 63.11 C ATOM 1166 O TRP A 83 -10.779 4.390 -5.174 1.00 60.22 O ATOM 1167 CB TRP A 83 -12.387 6.455 -3.227 1.00 45.51 C ATOM 1168 CG TRP A 83 -13.560 6.930 -2.431 1.00 65.33 C ATOM 1169 CD1 TRP A 83 -13.995 6.497 -1.232 1.00 71.33 C ATOM 1170 CD2 TRP A 83 -14.415 8.005 -2.797 1.00 25.33 C ATOM 1171 NE1 TRP A 83 -15.116 7.185 -0.858 1.00 71.42 N ATOM 1172 CE2 TRP A 83 -15.387 8.124 -1.805 1.00 64.21 C ATOM 1173 CE3 TRP A 83 -14.461 8.864 -3.890 1.00 42.31 C ATOM 1174 CZ2 TRP A 83 -16.392 9.069 -1.870 1.00 0.51 C ATOM 1175 CZ3 TRP A 83 -15.449 9.798 -3.953 1.00 21.03 C ATOM 1176 CH2 TRP A 83 -16.403 9.898 -2.957 1.00 61.54 C ATOM 0 H TRP A 83 -11.861 5.174 -1.068 1.00 73.44 H new ATOM 0 HA TRP A 83 -12.853 4.383 -3.569 1.00 75.22 H new ATOM 0 HB2 TRP A 83 -11.516 7.026 -2.906 1.00 45.51 H new ATOM 0 HB3 TRP A 83 -12.569 6.712 -4.271 1.00 45.51 H new ATOM 0 HD1 TRP A 83 -13.526 5.718 -0.649 1.00 71.33 H new ATOM 0 HE1 TRP A 83 -15.659 7.022 -0.010 1.00 71.42 H new ATOM 0 HE3 TRP A 83 -13.724 8.791 -4.676 1.00 42.31 H new ATOM 0 HZ2 TRP A 83 -17.139 9.150 -1.094 1.00 0.51 H new ATOM 0 HZ3 TRP A 83 -15.489 10.473 -4.795 1.00 21.03 H new ATOM 0 HH2 TRP A 83 -17.175 10.649 -3.040 1.00 61.54 H new ATOM 1187 N ASN A 84 -9.599 4.977 -3.335 1.00 14.31 N ATOM 1188 CA ASN A 84 -8.258 4.818 -3.913 1.00 41.40 C ATOM 1189 C ASN A 84 -8.035 3.365 -4.330 1.00 4.14 C ATOM 1190 O ASN A 84 -7.749 3.064 -5.494 1.00 41.23 O ATOM 1191 CB ASN A 84 -7.203 5.227 -2.853 1.00 43.02 C ATOM 1192 CG ASN A 84 -5.757 5.174 -3.331 1.00 50.24 C ATOM 1193 OD1 ASN A 84 -5.231 6.158 -3.846 1.00 61.14 O ATOM 1194 ND2 ASN A 84 -5.094 4.049 -3.134 1.00 10.33 N ATOM 0 H ASN A 84 -9.582 5.282 -2.362 1.00 14.31 H new ATOM 0 HA ASN A 84 -8.163 5.452 -4.794 1.00 41.40 H new ATOM 0 HB2 ASN A 84 -7.422 6.240 -2.516 1.00 43.02 H new ATOM 0 HB3 ASN A 84 -7.308 4.574 -1.987 1.00 43.02 H new ATOM 0 HD21 ASN A 84 -4.115 3.978 -3.412 1.00 10.33 H new ATOM 0 HD22 ASN A 84 -5.561 3.251 -2.704 1.00 10.33 H new ATOM 1201 N GLN A 85 -8.226 2.462 -3.380 1.00 3.14 N ATOM 1202 CA GLN A 85 -8.007 1.045 -3.606 1.00 52.41 C ATOM 1203 C GLN A 85 -9.026 0.438 -4.530 1.00 14.40 C ATOM 1204 O GLN A 85 -8.713 -0.498 -5.213 1.00 14.50 O ATOM 1205 CB GLN A 85 -7.970 0.261 -2.304 1.00 41.55 C ATOM 1206 CG GLN A 85 -6.793 0.589 -1.423 1.00 44.13 C ATOM 1207 CD GLN A 85 -6.699 -0.322 -0.222 1.00 63.33 C ATOM 1208 OE1 GLN A 85 -7.704 -0.766 0.316 1.00 32.32 O ATOM 1209 NE2 GLN A 85 -5.500 -0.697 0.129 1.00 0.41 N ATOM 0 H GLN A 85 -8.536 2.691 -2.436 1.00 3.14 H new ATOM 0 HA GLN A 85 -7.032 0.976 -4.088 1.00 52.41 H new ATOM 0 HB2 GLN A 85 -8.889 0.453 -1.751 1.00 41.55 H new ATOM 0 HB3 GLN A 85 -7.953 -0.804 -2.534 1.00 41.55 H new ATOM 0 HG2 GLN A 85 -5.875 0.513 -2.005 1.00 44.13 H new ATOM 0 HG3 GLN A 85 -6.872 1.623 -1.086 1.00 44.13 H new ATOM 0 HE21 GLN A 85 -4.685 -0.305 -0.342 1.00 0.41 H new ATOM 0 HE22 GLN A 85 -5.378 -1.382 0.875 1.00 0.41 H new ATOM 1218 N LEU A 86 -10.245 0.956 -4.572 1.00 72.22 N ATOM 1219 CA LEU A 86 -11.268 0.398 -5.470 1.00 24.54 C ATOM 1220 C LEU A 86 -10.855 0.438 -6.941 1.00 24.24 C ATOM 1221 O LEU A 86 -11.404 -0.283 -7.771 1.00 74.23 O ATOM 1222 CB LEU A 86 -12.653 0.992 -5.234 1.00 43.14 C ATOM 1223 CG LEU A 86 -13.306 0.602 -3.898 1.00 33.42 C ATOM 1224 CD1 LEU A 86 -14.665 1.219 -3.774 1.00 22.15 C ATOM 1225 CD2 LEU A 86 -13.413 -0.911 -3.748 1.00 2.51 C ATOM 0 H LEU A 86 -10.555 1.748 -4.009 1.00 72.22 H new ATOM 0 HA LEU A 86 -11.344 -0.657 -5.208 1.00 24.54 H new ATOM 0 HB2 LEU A 86 -12.579 2.078 -5.282 1.00 43.14 H new ATOM 0 HB3 LEU A 86 -13.309 0.681 -6.047 1.00 43.14 H new ATOM 0 HG LEU A 86 -12.666 0.981 -3.101 1.00 33.42 H new ATOM 0 HD11 LEU A 86 -15.110 0.931 -2.822 1.00 22.15 H new ATOM 0 HD12 LEU A 86 -14.577 2.305 -3.820 1.00 22.15 H new ATOM 0 HD13 LEU A 86 -15.298 0.872 -4.590 1.00 22.15 H new ATOM 0 HD21 LEU A 86 -13.879 -1.150 -2.792 1.00 2.51 H new ATOM 0 HD22 LEU A 86 -14.020 -1.315 -4.559 1.00 2.51 H new ATOM 0 HD23 LEU A 86 -12.417 -1.352 -3.786 1.00 2.51 H new ATOM 1237 N MET A 87 -9.881 1.272 -7.255 1.00 1.21 N ATOM 1238 CA MET A 87 -9.300 1.289 -8.579 1.00 73.13 C ATOM 1239 C MET A 87 -8.401 0.050 -8.756 1.00 20.01 C ATOM 1240 O MET A 87 -8.617 -0.784 -9.648 1.00 45.42 O ATOM 1241 CB MET A 87 -8.408 2.527 -8.782 1.00 13.23 C ATOM 1242 CG MET A 87 -9.075 3.882 -8.747 1.00 1.04 C ATOM 1243 SD MET A 87 -7.858 5.205 -8.994 1.00 61.01 S ATOM 1244 CE MET A 87 -8.931 6.621 -9.149 1.00 42.31 C ATOM 0 H MET A 87 -9.476 1.948 -6.607 1.00 1.21 H new ATOM 0 HA MET A 87 -10.119 1.301 -9.299 1.00 73.13 H new ATOM 0 HB2 MET A 87 -7.634 2.513 -8.014 1.00 13.23 H new ATOM 0 HB3 MET A 87 -7.905 2.425 -9.744 1.00 13.23 H new ATOM 0 HG2 MET A 87 -9.840 3.936 -9.522 1.00 1.04 H new ATOM 0 HG3 MET A 87 -9.580 4.020 -7.791 1.00 1.04 H new ATOM 0 HE1 MET A 87 -8.345 7.491 -9.446 1.00 42.31 H new ATOM 0 HE2 MET A 87 -9.691 6.420 -9.904 1.00 42.31 H new ATOM 0 HE3 MET A 87 -9.413 6.818 -8.192 1.00 42.31 H new ATOM 1254 N LEU A 88 -7.424 -0.064 -7.861 1.00 54.53 N ATOM 1255 CA LEU A 88 -6.335 -1.049 -7.962 1.00 72.24 C ATOM 1256 C LEU A 88 -6.586 -2.406 -7.334 1.00 52.35 C ATOM 1257 O LEU A 88 -6.112 -3.364 -7.856 1.00 62.53 O ATOM 1258 CB LEU A 88 -5.020 -0.473 -7.427 1.00 30.13 C ATOM 1259 CG LEU A 88 -4.247 0.528 -8.302 1.00 14.31 C ATOM 1260 CD1 LEU A 88 -3.789 -0.136 -9.590 1.00 73.43 C ATOM 1261 CD2 LEU A 88 -5.068 1.744 -8.609 1.00 71.14 C ATOM 0 H LEU A 88 -7.359 0.529 -7.033 1.00 54.53 H new ATOM 0 HA LEU A 88 -6.274 -1.242 -9.033 1.00 72.24 H new ATOM 0 HB2 LEU A 88 -5.234 0.015 -6.476 1.00 30.13 H new ATOM 0 HB3 LEU A 88 -4.354 -1.309 -7.213 1.00 30.13 H new ATOM 0 HG LEU A 88 -3.372 0.851 -7.737 1.00 14.31 H new ATOM 0 HD11 LEU A 88 -3.244 0.586 -10.198 1.00 73.43 H new ATOM 0 HD12 LEU A 88 -3.137 -0.977 -9.354 1.00 73.43 H new ATOM 0 HD13 LEU A 88 -4.657 -0.494 -10.144 1.00 73.43 H new ATOM 0 HD21 LEU A 88 -4.488 2.428 -9.229 1.00 71.14 H new ATOM 0 HD22 LEU A 88 -5.971 1.448 -9.143 1.00 71.14 H new ATOM 0 HD23 LEU A 88 -5.343 2.242 -7.679 1.00 71.14 H new ATOM 1273 N SER A 89 -7.360 -2.496 -6.268 1.00 71.43 N ATOM 1274 CA SER A 89 -7.549 -3.774 -5.523 1.00 53.10 C ATOM 1275 C SER A 89 -8.243 -4.872 -6.347 1.00 23.14 C ATOM 1276 O SER A 89 -8.375 -6.005 -5.906 1.00 21.21 O ATOM 1277 CB SER A 89 -8.305 -3.532 -4.211 1.00 22.12 C ATOM 1278 OG SER A 89 -9.551 -2.890 -4.454 1.00 2.12 O ATOM 0 H SER A 89 -7.879 -1.708 -5.880 1.00 71.43 H new ATOM 0 HA SER A 89 -6.547 -4.143 -5.303 1.00 53.10 H new ATOM 0 HB2 SER A 89 -8.474 -4.482 -3.703 1.00 22.12 H new ATOM 0 HB3 SER A 89 -7.699 -2.918 -3.545 1.00 22.12 H new ATOM 0 HG SER A 89 -9.392 -1.980 -4.780 1.00 2.12 H new ATOM 1284 N ARG A 90 -8.674 -4.522 -7.542 1.00 12.51 N ATOM 1285 CA ARG A 90 -9.306 -5.468 -8.433 1.00 15.35 C ATOM 1286 C ARG A 90 -8.233 -6.011 -9.390 1.00 42.22 C ATOM 1287 O ARG A 90 -8.514 -6.690 -10.376 1.00 60.24 O ATOM 1288 CB ARG A 90 -10.437 -4.782 -9.204 1.00 40.42 C ATOM 1289 CG ARG A 90 -11.320 -3.916 -8.313 1.00 14.41 C ATOM 1290 CD ARG A 90 -12.570 -3.460 -9.023 1.00 34.40 C ATOM 1291 NE ARG A 90 -13.163 -2.290 -8.365 1.00 44.54 N ATOM 1292 CZ ARG A 90 -14.354 -2.216 -7.742 1.00 62.13 C ATOM 1293 NH1 ARG A 90 -15.097 -3.289 -7.520 1.00 4.24 N1+ ATOM 1294 NH2 ARG A 90 -14.784 -1.059 -7.315 1.00 73.11 N ATOM 0 H ARG A 90 -8.596 -3.578 -7.920 1.00 12.51 H new ATOM 0 HA ARG A 90 -9.743 -6.294 -7.871 1.00 15.35 H new ATOM 0 HB2 ARG A 90 -10.009 -4.164 -9.994 1.00 40.42 H new ATOM 0 HB3 ARG A 90 -11.051 -5.540 -9.689 1.00 40.42 H new ATOM 0 HG2 ARG A 90 -11.595 -4.478 -7.420 1.00 14.41 H new ATOM 0 HG3 ARG A 90 -10.755 -3.045 -7.980 1.00 14.41 H new ATOM 0 HD2 ARG A 90 -12.333 -3.216 -10.059 1.00 34.40 H new ATOM 0 HD3 ARG A 90 -13.295 -4.273 -9.045 1.00 34.40 H new ATOM 0 HE ARG A 90 -12.609 -1.434 -8.382 1.00 44.54 H new ATOM 0 HH11 ARG A 90 -14.771 -4.207 -7.824 1.00 4.24 H new ATOM 0 HH12 ARG A 90 -15.995 -3.198 -7.045 1.00 4.24 H new ATOM 0 HH21 ARG A 90 -14.219 -0.222 -7.455 1.00 73.11 H new ATOM 0 HH22 ARG A 90 -15.685 -0.993 -6.842 1.00 73.11 H new ATOM 1308 N SER A 91 -7.015 -5.606 -9.115 1.00 43.14 N ATOM 1309 CA SER A 91 -5.801 -6.004 -9.775 1.00 65.34 C ATOM 1310 C SER A 91 -4.704 -5.893 -8.659 1.00 11.03 C ATOM 1311 O SER A 91 -5.080 -5.949 -7.485 1.00 53.43 O ATOM 1312 CB SER A 91 -5.584 -5.020 -10.945 1.00 62.21 C ATOM 1313 OG SER A 91 -6.703 -5.058 -11.834 1.00 34.35 O ATOM 0 H SER A 91 -6.838 -4.938 -8.365 1.00 43.14 H new ATOM 0 HA SER A 91 -5.796 -7.009 -10.196 1.00 65.34 H new ATOM 0 HB2 SER A 91 -5.450 -4.009 -10.560 1.00 62.21 H new ATOM 0 HB3 SER A 91 -4.673 -5.279 -11.484 1.00 62.21 H new ATOM 0 HG SER A 91 -6.387 -5.008 -12.760 1.00 34.35 H new ATOM 1319 N PRO A 92 -3.369 -5.822 -8.939 1.00 2.23 N ATOM 1320 CA PRO A 92 -2.405 -5.518 -7.869 1.00 31.44 C ATOM 1321 C PRO A 92 -2.678 -4.117 -7.289 1.00 63.42 C ATOM 1322 O PRO A 92 -2.633 -3.121 -8.027 1.00 40.14 O ATOM 1323 CB PRO A 92 -1.046 -5.549 -8.584 1.00 72.12 C ATOM 1324 CG PRO A 92 -1.276 -6.378 -9.795 1.00 63.30 C ATOM 1325 CD PRO A 92 -2.684 -6.092 -10.220 1.00 25.43 C ATOM 0 HA PRO A 92 -2.459 -6.217 -7.034 1.00 31.44 H new ATOM 0 HB2 PRO A 92 -0.715 -4.545 -8.849 1.00 72.12 H new ATOM 0 HB3 PRO A 92 -0.274 -5.982 -7.948 1.00 72.12 H new ATOM 0 HG2 PRO A 92 -0.569 -6.123 -10.584 1.00 63.30 H new ATOM 0 HG3 PRO A 92 -1.140 -7.437 -9.576 1.00 63.30 H new ATOM 0 HD2 PRO A 92 -2.736 -5.237 -10.894 1.00 25.43 H new ATOM 0 HD3 PRO A 92 -3.127 -6.939 -10.744 1.00 25.43 H new ATOM 1333 N GLU A 93 -2.993 -4.069 -5.994 1.00 15.41 N ATOM 1334 CA GLU A 93 -3.329 -2.836 -5.308 1.00 63.41 C ATOM 1335 C GLU A 93 -2.078 -1.981 -5.172 1.00 70.13 C ATOM 1336 O GLU A 93 -1.287 -2.225 -4.257 1.00 13.24 O ATOM 1337 CB GLU A 93 -3.934 -3.151 -3.913 1.00 14.45 C ATOM 1338 CG GLU A 93 -4.827 -2.041 -3.295 1.00 51.13 C ATOM 1339 CD GLU A 93 -4.124 -0.721 -2.993 1.00 1.31 C ATOM 1340 OE1 GLU A 93 -4.106 0.183 -3.860 1.00 13.40 O ATOM 1341 OE2 GLU A 93 -3.583 -0.550 -1.878 1.00 14.20 O1- ATOM 1342 OXT GLU A 93 -1.859 -1.027 -5.974 1.00 38.09 O1- ATOM 0 H GLU A 93 -3.020 -4.894 -5.394 1.00 15.41 H new ATOM 0 HA GLU A 93 -4.073 -2.286 -5.884 1.00 63.41 H new ATOM 0 HB2 GLU A 93 -4.525 -4.064 -3.992 1.00 14.45 H new ATOM 0 HB3 GLU A 93 -3.117 -3.359 -3.223 1.00 14.45 H new ATOM 0 HG2 GLU A 93 -5.654 -1.844 -3.977 1.00 51.13 H new ATOM 0 HG3 GLU A 93 -5.260 -2.421 -2.370 1.00 51.13 H new TER 1349 GLU A 93