USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 592 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 83 ASN : amide:sc= -0.401 X(o=-0.46,f=-0.81) USER MOD Set 1.2: A 89 THR OG1 : rot -80:sc= -0.0597 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.2!) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 4 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.73) USER MOD Single : A 5 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.66) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0.608 (180deg=0.578) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 82 MET CE :methyl -127:sc= -3.33! (180deg=-6.9!) USER MOD Single : A 85 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.00057) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.0972 (180deg=-0.369) USER MOD Single : A 91 SER OG : rot 118:sc= -1.33 USER MOD Single : A 92 ASN : amide:sc= -3.78 X(o=-3.8,f=-4.2!) USER MOD Single : A 93 TYR OH : rot 121:sc= -0.612 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.800 -3.233 4.141 1.00 22.12 N ATOM 19 CA ALA A 3 10.714 -4.173 3.889 1.00 14.22 C ATOM 20 C ALA A 3 10.047 -4.602 5.191 1.00 22.25 C ATOM 21 O ALA A 3 10.552 -5.470 5.901 1.00 0.23 O ATOM 22 CB ALA A 3 11.233 -5.388 3.135 1.00 74.41 C ATOM 0 HA ALA A 3 9.966 -3.670 3.276 1.00 14.22 H new ATOM 0 HB1 ALA A 3 10.412 -6.082 2.953 1.00 74.41 H new ATOM 0 HB2 ALA A 3 11.658 -5.071 2.182 1.00 74.41 H new ATOM 0 HB3 ALA A 3 12.002 -5.883 3.728 1.00 74.41 H new ATOM 28 N GLN A 4 8.908 -3.987 5.498 1.00 71.32 N ATOM 29 CA GLN A 4 8.172 -4.306 6.716 1.00 75.21 C ATOM 30 C GLN A 4 7.107 -5.364 6.447 1.00 54.10 C ATOM 31 O GLN A 4 6.345 -5.260 5.486 1.00 41.03 O ATOM 32 CB GLN A 4 7.524 -3.045 7.289 1.00 62.31 C ATOM 33 CG GLN A 4 7.963 -2.728 8.710 1.00 62.14 C ATOM 34 CD GLN A 4 7.878 -3.930 9.629 1.00 21.40 C ATOM 35 OE1 GLN A 4 8.867 -4.629 9.851 1.00 72.33 O ATOM 36 NE2 GLN A 4 6.692 -4.177 10.172 1.00 23.23 N ATOM 0 H GLN A 4 8.476 -3.266 4.920 1.00 71.32 H new ATOM 0 HA GLN A 4 8.878 -4.706 7.444 1.00 75.21 H new ATOM 0 HB2 GLN A 4 7.764 -2.198 6.646 1.00 62.31 H new ATOM 0 HB3 GLN A 4 6.441 -3.162 7.270 1.00 62.31 H new ATOM 0 HG2 GLN A 4 8.988 -2.358 8.695 1.00 62.14 H new ATOM 0 HG3 GLN A 4 7.341 -1.926 9.108 1.00 62.14 H new ATOM 0 HE21 GLN A 4 5.898 -3.572 9.961 1.00 23.23 H new ATOM 0 HE22 GLN A 4 6.574 -4.972 10.800 1.00 23.23 H new ATOM 43 N ASN A 5 7.060 -6.380 7.302 1.00 21.22 N ATOM 44 CA ASN A 5 6.087 -7.456 7.156 1.00 2.30 C ATOM 45 C ASN A 5 4.750 -7.072 7.781 1.00 13.24 C ATOM 46 O ASN A 5 4.678 -6.753 8.969 1.00 72.52 O ATOM 47 CB ASN A 5 6.615 -8.740 7.803 1.00 34.13 C ATOM 48 CG ASN A 5 7.178 -8.498 9.190 1.00 12.43 C ATOM 49 OD1 ASN A 5 6.448 -8.509 10.181 1.00 22.54 O ATOM 50 ND2 ASN A 5 8.485 -8.277 9.268 1.00 31.31 N ATOM 0 H ASN A 5 7.684 -6.481 8.103 1.00 21.22 H new ATOM 0 HA ASN A 5 5.932 -7.629 6.091 1.00 2.30 H new ATOM 0 HB2 ASN A 5 5.809 -9.471 7.863 1.00 34.13 H new ATOM 0 HB3 ASN A 5 7.390 -9.171 7.169 1.00 34.13 H new ATOM 0 HD21 ASN A 5 8.920 -8.108 10.175 1.00 31.31 H new ATOM 0 HD22 ASN A 5 9.054 -8.277 8.421 1.00 31.31 H new ATOM 56 N ILE A 6 3.695 -7.103 6.975 1.00 22.41 N ATOM 57 CA ILE A 6 2.361 -6.758 7.449 1.00 62.23 C ATOM 58 C ILE A 6 1.372 -7.888 7.178 1.00 12.11 C ATOM 59 O ILE A 6 1.175 -8.295 6.032 1.00 73.30 O ATOM 60 CB ILE A 6 1.842 -5.468 6.787 1.00 52.35 C ATOM 61 CG1 ILE A 6 2.777 -4.298 7.099 1.00 53.32 C ATOM 62 CG2 ILE A 6 0.428 -5.164 7.255 1.00 31.33 C ATOM 63 CD1 ILE A 6 2.920 -4.017 8.578 1.00 42.55 C ATOM 0 H ILE A 6 3.738 -7.364 5.990 1.00 22.41 H new ATOM 0 HA ILE A 6 2.441 -6.597 8.524 1.00 62.23 H new ATOM 0 HB ILE A 6 1.821 -5.614 5.707 1.00 52.35 H new ATOM 0 HG12 ILE A 6 3.761 -4.508 6.681 1.00 53.32 H new ATOM 0 HG13 ILE A 6 2.404 -3.403 6.602 1.00 53.32 H new ATOM 0 HG21 ILE A 6 0.076 -4.249 6.778 1.00 31.33 H new ATOM 0 HG22 ILE A 6 -0.230 -5.990 6.986 1.00 31.33 H new ATOM 0 HG23 ILE A 6 0.423 -5.034 8.337 1.00 31.33 H new ATOM 0 HD11 ILE A 6 3.597 -3.175 8.725 1.00 42.55 H new ATOM 0 HD12 ILE A 6 1.944 -3.775 8.998 1.00 42.55 H new ATOM 0 HD13 ILE A 6 3.322 -4.898 9.078 1.00 42.55 H new ATOM 74 N THR A 7 0.751 -8.391 8.239 1.00 1.54 N ATOM 75 CA THR A 7 -0.217 -9.474 8.117 1.00 35.25 C ATOM 76 C THR A 7 -1.641 -8.932 8.057 1.00 64.42 C ATOM 77 O THR A 7 -1.979 -7.969 8.743 1.00 34.42 O ATOM 78 CB THR A 7 -0.106 -10.462 9.293 1.00 21.43 C ATOM 79 OG1 THR A 7 -0.025 -9.746 10.530 1.00 1.13 O ATOM 80 CG2 THR A 7 1.117 -11.354 9.137 1.00 24.10 C ATOM 0 H THR A 7 0.901 -8.066 9.194 1.00 1.54 H new ATOM 0 HA THR A 7 0.010 -9.999 7.189 1.00 35.25 H new ATOM 0 HB THR A 7 -0.997 -11.090 9.295 1.00 21.43 H new ATOM 0 HG1 THR A 7 0.044 -10.382 11.272 1.00 1.13 H new ATOM 0 HG21 THR A 7 1.174 -12.043 9.979 1.00 24.10 H new ATOM 0 HG22 THR A 7 1.038 -11.921 8.209 1.00 24.10 H new ATOM 0 HG23 THR A 7 2.016 -10.738 9.111 1.00 24.10 H new ATOM 88 N ALA A 8 -2.472 -9.559 7.229 1.00 5.25 N ATOM 89 CA ALA A 8 -3.862 -9.141 7.082 1.00 0.22 C ATOM 90 C ALA A 8 -4.762 -10.331 6.763 1.00 55.30 C ATOM 91 O ALA A 8 -4.281 -11.408 6.410 1.00 12.14 O ATOM 92 CB ALA A 8 -3.980 -8.080 5.998 1.00 21.31 C ATOM 0 H ALA A 8 -2.207 -10.357 6.651 1.00 5.25 H new ATOM 0 HA ALA A 8 -4.191 -8.715 8.030 1.00 0.22 H new ATOM 0 HB1 ALA A 8 -5.022 -7.776 5.898 1.00 21.31 H new ATOM 0 HB2 ALA A 8 -3.374 -7.215 6.268 1.00 21.31 H new ATOM 0 HB3 ALA A 8 -3.628 -8.487 5.050 1.00 21.31 H new ATOM 98 N ARG A 9 -6.068 -10.128 6.890 1.00 20.41 N ATOM 99 CA ARG A 9 -7.035 -11.185 6.616 1.00 11.55 C ATOM 100 C ARG A 9 -8.058 -10.732 5.578 1.00 3.20 C ATOM 101 O ARG A 9 -8.388 -9.549 5.495 1.00 52.22 O ATOM 102 CB ARG A 9 -7.750 -11.598 7.905 1.00 51.13 C ATOM 103 CG ARG A 9 -7.214 -12.885 8.514 1.00 75.35 C ATOM 104 CD ARG A 9 -6.311 -12.604 9.704 1.00 22.01 C ATOM 105 NE ARG A 9 -6.258 -13.733 10.628 1.00 40.34 N ATOM 106 CZ ARG A 9 -5.680 -13.679 11.823 1.00 73.51 C ATOM 107 NH1 ARG A 9 -5.109 -12.556 12.236 1.00 31.34 N ATOM 108 NH2 ARG A 9 -5.673 -14.749 12.607 1.00 54.41 N ATOM 0 H ARG A 9 -6.482 -9.242 7.181 1.00 20.41 H new ATOM 0 HA ARG A 9 -6.494 -12.043 6.217 1.00 11.55 H new ATOM 0 HB2 ARG A 9 -7.657 -10.794 8.635 1.00 51.13 H new ATOM 0 HB3 ARG A 9 -8.813 -11.719 7.698 1.00 51.13 H new ATOM 0 HG2 ARG A 9 -8.047 -13.514 8.828 1.00 75.35 H new ATOM 0 HG3 ARG A 9 -6.660 -13.443 7.759 1.00 75.35 H new ATOM 0 HD2 ARG A 9 -5.305 -12.377 9.350 1.00 22.01 H new ATOM 0 HD3 ARG A 9 -6.670 -11.720 10.231 1.00 22.01 H new ATOM 0 HE ARG A 9 -6.688 -14.612 10.340 1.00 40.34 H new ATOM 0 HH11 ARG A 9 -5.113 -11.731 11.636 1.00 31.34 H new ATOM 0 HH12 ARG A 9 -4.666 -12.517 13.154 1.00 31.34 H new ATOM 0 HH21 ARG A 9 -6.112 -15.614 12.293 1.00 54.41 H new ATOM 0 HH22 ARG A 9 -5.229 -14.706 13.524 1.00 54.41 H new ATOM 119 N ILE A 10 -8.552 -11.680 4.790 1.00 53.02 N ATOM 120 CA ILE A 10 -9.535 -11.378 3.758 1.00 24.42 C ATOM 121 C ILE A 10 -10.743 -10.654 4.345 1.00 21.11 C ATOM 122 O ILE A 10 -11.418 -11.170 5.234 1.00 2.05 O ATOM 123 CB ILE A 10 -10.015 -12.656 3.045 1.00 41.45 C ATOM 124 CG1 ILE A 10 -8.846 -13.336 2.331 1.00 64.55 C ATOM 125 CG2 ILE A 10 -11.126 -12.328 2.059 1.00 14.31 C ATOM 126 CD1 ILE A 10 -9.080 -14.805 2.054 1.00 70.25 C ATOM 0 H ILE A 10 -8.288 -12.664 4.846 1.00 53.02 H new ATOM 0 HA ILE A 10 -9.042 -10.731 3.033 1.00 24.42 H new ATOM 0 HB ILE A 10 -10.411 -13.344 3.792 1.00 41.45 H new ATOM 0 HG12 ILE A 10 -8.658 -12.822 1.388 1.00 64.55 H new ATOM 0 HG13 ILE A 10 -7.947 -13.228 2.938 1.00 64.55 H new ATOM 0 HG21 ILE A 10 -11.454 -13.242 1.563 1.00 14.31 H new ATOM 0 HG22 ILE A 10 -11.966 -11.883 2.592 1.00 14.31 H new ATOM 0 HG23 ILE A 10 -10.755 -11.624 1.314 1.00 14.31 H new ATOM 0 HD11 ILE A 10 -8.211 -15.222 1.546 1.00 70.25 H new ATOM 0 HD12 ILE A 10 -9.238 -15.332 2.995 1.00 70.25 H new ATOM 0 HD13 ILE A 10 -9.960 -14.920 1.421 1.00 70.25 H new ATOM 137 N GLY A 11 -11.010 -9.454 3.838 1.00 61.42 N ATOM 138 CA GLY A 11 -12.136 -8.678 4.323 1.00 22.10 C ATOM 139 C GLY A 11 -11.784 -7.838 5.534 1.00 25.25 C ATOM 140 O GLY A 11 -12.654 -7.201 6.130 1.00 54.30 O ATOM 0 H GLY A 11 -10.467 -9.006 3.100 1.00 61.42 H new ATOM 0 HA2 GLY A 11 -12.495 -8.027 3.526 1.00 22.10 H new ATOM 0 HA3 GLY A 11 -12.954 -9.351 4.578 1.00 22.10 H new ATOM 144 N GLU A 12 -10.508 -7.839 5.902 1.00 1.51 N ATOM 145 CA GLU A 12 -10.044 -7.073 7.053 1.00 10.25 C ATOM 146 C GLU A 12 -9.349 -5.788 6.609 1.00 63.53 C ATOM 147 O GLU A 12 -8.596 -5.766 5.635 1.00 33.13 O ATOM 148 CB GLU A 12 -9.089 -7.914 7.903 1.00 72.35 C ATOM 149 CG GLU A 12 -9.722 -9.178 8.458 1.00 51.50 C ATOM 150 CD GLU A 12 -11.115 -8.942 9.007 1.00 73.14 C ATOM 151 OE1 GLU A 12 -11.295 -7.966 9.766 1.00 52.51 O ATOM 152 OE2 GLU A 12 -12.024 -9.731 8.678 1.00 30.04 O ATOM 0 H GLU A 12 -9.776 -8.361 5.420 1.00 1.51 H new ATOM 0 HA GLU A 12 -10.914 -6.806 7.653 1.00 10.25 H new ATOM 0 HB2 GLU A 12 -8.223 -8.186 7.300 1.00 72.35 H new ATOM 0 HB3 GLU A 12 -8.723 -7.307 8.731 1.00 72.35 H new ATOM 0 HG2 GLU A 12 -9.769 -9.932 7.672 1.00 51.50 H new ATOM 0 HG3 GLU A 12 -9.088 -9.580 9.248 1.00 51.50 H new ATOM 157 N PRO A 13 -9.609 -4.692 7.337 1.00 22.11 N ATOM 158 CA PRO A 13 -9.020 -3.385 7.037 1.00 53.43 C ATOM 159 C PRO A 13 -7.523 -3.343 7.327 1.00 12.11 C ATOM 160 O PRO A 13 -7.046 -3.965 8.278 1.00 70.34 O ATOM 161 CB PRO A 13 -9.772 -2.434 7.972 1.00 75.41 C ATOM 162 CG PRO A 13 -10.222 -3.293 9.102 1.00 32.51 C ATOM 163 CD PRO A 13 -10.498 -4.647 8.511 1.00 53.34 C ATOM 0 HA PRO A 13 -9.112 -3.129 5.981 1.00 53.43 H new ATOM 0 HB2 PRO A 13 -9.126 -1.628 8.320 1.00 75.41 H new ATOM 0 HB3 PRO A 13 -10.618 -1.969 7.467 1.00 75.41 H new ATOM 0 HG2 PRO A 13 -9.456 -3.354 9.875 1.00 32.51 H new ATOM 0 HG3 PRO A 13 -11.116 -2.883 9.571 1.00 32.51 H new ATOM 0 HD2 PRO A 13 -10.274 -5.447 9.216 1.00 53.34 H new ATOM 0 HD3 PRO A 13 -11.545 -4.756 8.227 1.00 53.34 H new ATOM 168 N LEU A 14 -6.786 -2.605 6.504 1.00 20.12 N ATOM 169 CA LEU A 14 -5.342 -2.482 6.673 1.00 74.30 C ATOM 170 C LEU A 14 -4.872 -1.073 6.323 1.00 62.03 C ATOM 171 O LEU A 14 -5.364 -0.461 5.374 1.00 11.00 O ATOM 172 CB LEU A 14 -4.617 -3.506 5.798 1.00 51.11 C ATOM 173 CG LEU A 14 -3.118 -3.663 6.052 1.00 74.04 C ATOM 174 CD1 LEU A 14 -2.871 -4.441 7.335 1.00 74.43 C ATOM 175 CD2 LEU A 14 -2.446 -4.350 4.871 1.00 34.43 C ATOM 0 H LEU A 14 -7.164 -2.083 5.713 1.00 20.12 H new ATOM 0 HA LEU A 14 -5.105 -2.675 7.719 1.00 74.30 H new ATOM 0 HB2 LEU A 14 -5.093 -4.476 5.939 1.00 51.11 H new ATOM 0 HB3 LEU A 14 -4.761 -3.229 4.754 1.00 51.11 H new ATOM 0 HG LEU A 14 -2.683 -2.670 6.165 1.00 74.04 H new ATOM 0 HD11 LEU A 14 -1.798 -4.542 7.498 1.00 74.43 H new ATOM 0 HD12 LEU A 14 -3.317 -3.909 8.175 1.00 74.43 H new ATOM 0 HD13 LEU A 14 -3.320 -5.431 7.253 1.00 74.43 H new ATOM 0 HD21 LEU A 14 -1.379 -4.453 5.069 1.00 34.43 H new ATOM 0 HD22 LEU A 14 -2.885 -5.337 4.726 1.00 34.43 H new ATOM 0 HD23 LEU A 14 -2.592 -3.752 3.971 1.00 34.43 H new ATOM 186 N VAL A 15 -3.915 -0.566 7.093 1.00 22.12 N ATOM 187 CA VAL A 15 -3.376 0.769 6.863 1.00 3.54 C ATOM 188 C VAL A 15 -1.857 0.731 6.727 1.00 1.14 C ATOM 189 O VAL A 15 -1.184 -0.063 7.386 1.00 14.22 O ATOM 190 CB VAL A 15 -3.754 1.733 8.003 1.00 23.10 C ATOM 191 CG1 VAL A 15 -3.280 3.143 7.691 1.00 15.02 C ATOM 192 CG2 VAL A 15 -5.256 1.708 8.244 1.00 63.34 C ATOM 0 H VAL A 15 -3.497 -1.060 7.882 1.00 22.12 H new ATOM 0 HA VAL A 15 -3.814 1.131 5.933 1.00 3.54 H new ATOM 0 HB VAL A 15 -3.256 1.403 8.915 1.00 23.10 H new ATOM 0 HG11 VAL A 15 -3.557 3.809 8.508 1.00 15.02 H new ATOM 0 HG12 VAL A 15 -2.196 3.145 7.572 1.00 15.02 H new ATOM 0 HG13 VAL A 15 -3.747 3.488 6.768 1.00 15.02 H new ATOM 0 HG21 VAL A 15 -5.506 2.395 9.053 1.00 63.34 H new ATOM 0 HG22 VAL A 15 -5.775 2.013 7.335 1.00 63.34 H new ATOM 0 HG23 VAL A 15 -5.564 0.699 8.517 1.00 63.34 H new ATOM 202 N LEU A 16 -1.324 1.595 5.870 1.00 4.33 N ATOM 203 CA LEU A 16 0.116 1.662 5.648 1.00 53.10 C ATOM 204 C LEU A 16 0.610 3.104 5.712 1.00 2.32 C ATOM 205 O LEU A 16 -0.103 4.034 5.334 1.00 51.24 O ATOM 206 CB LEU A 16 0.472 1.049 4.292 1.00 50.20 C ATOM 207 CG LEU A 16 0.289 -0.464 4.172 1.00 74.32 C ATOM 208 CD1 LEU A 16 0.778 -0.954 2.817 1.00 31.02 C ATOM 209 CD2 LEU A 16 1.021 -1.181 5.296 1.00 54.13 C ATOM 0 H LEU A 16 -1.867 2.259 5.318 1.00 4.33 H new ATOM 0 HA LEU A 16 0.607 1.093 6.437 1.00 53.10 H new ATOM 0 HB2 LEU A 16 -0.137 1.531 3.527 1.00 50.20 H new ATOM 0 HB3 LEU A 16 1.512 1.288 4.069 1.00 50.20 H new ATOM 0 HG LEU A 16 -0.774 -0.690 4.256 1.00 74.32 H new ATOM 0 HD11 LEU A 16 0.640 -2.033 2.749 1.00 31.02 H new ATOM 0 HD12 LEU A 16 0.209 -0.465 2.026 1.00 31.02 H new ATOM 0 HD13 LEU A 16 1.836 -0.715 2.704 1.00 31.02 H new ATOM 0 HD21 LEU A 16 0.879 -2.257 5.194 1.00 54.13 H new ATOM 0 HD22 LEU A 16 2.085 -0.948 5.244 1.00 54.13 H new ATOM 0 HD23 LEU A 16 0.624 -0.852 6.256 1.00 54.13 H new ATOM 220 N LYS A 17 1.836 3.282 6.194 1.00 35.32 N ATOM 221 CA LYS A 17 2.429 4.611 6.305 1.00 23.22 C ATOM 222 C LYS A 17 3.629 4.749 5.376 1.00 3.42 C ATOM 223 O LYS A 17 4.277 3.761 5.030 1.00 52.52 O ATOM 224 CB LYS A 17 2.853 4.882 7.750 1.00 1.03 C ATOM 225 CG LYS A 17 3.406 6.280 7.969 1.00 62.42 C ATOM 226 CD LYS A 17 3.307 6.697 9.426 1.00 41.30 C ATOM 227 CE LYS A 17 1.870 7.001 9.824 1.00 61.33 C ATOM 228 NZ LYS A 17 1.798 7.795 11.081 1.00 31.12 N ATOM 0 H LYS A 17 2.438 2.523 6.514 1.00 35.32 H new ATOM 0 HA LYS A 17 1.678 5.344 6.010 1.00 23.22 H new ATOM 0 HB2 LYS A 17 1.995 4.733 8.406 1.00 1.03 H new ATOM 0 HB3 LYS A 17 3.608 4.152 8.041 1.00 1.03 H new ATOM 0 HG2 LYS A 17 4.448 6.314 7.650 1.00 62.42 H new ATOM 0 HG3 LYS A 17 2.859 6.990 7.349 1.00 62.42 H new ATOM 0 HD2 LYS A 17 3.701 5.903 10.060 1.00 41.30 H new ATOM 0 HD3 LYS A 17 3.927 7.577 9.596 1.00 41.30 H new ATOM 0 HE2 LYS A 17 1.379 7.549 9.020 1.00 61.33 H new ATOM 0 HE3 LYS A 17 1.324 6.067 9.953 1.00 61.33 H new ATOM 0 HZ1 LYS A 17 0.802 7.981 11.318 1.00 31.12 H new ATOM 0 HZ2 LYS A 17 2.244 7.262 11.855 1.00 31.12 H new ATOM 0 HZ3 LYS A 17 2.297 8.698 10.950 1.00 31.12 H new ATOM 238 N CYS A 18 3.923 5.982 4.977 1.00 13.53 N ATOM 239 CA CYS A 18 5.048 6.251 4.088 1.00 32.53 C ATOM 240 C CYS A 18 6.209 6.878 4.856 1.00 74.13 C ATOM 241 O CYS A 18 6.203 8.075 5.144 1.00 32.32 O ATOM 242 CB CYS A 18 4.615 7.177 2.950 1.00 11.34 C ATOM 243 SG CYS A 18 5.767 7.209 1.539 1.00 1.53 S ATOM 0 H CYS A 18 3.398 6.811 5.255 1.00 13.53 H new ATOM 0 HA CYS A 18 5.383 5.303 3.668 1.00 32.53 H new ATOM 0 HB2 CYS A 18 3.632 6.865 2.596 1.00 11.34 H new ATOM 0 HB3 CYS A 18 4.507 8.189 3.340 1.00 11.34 H new ATOM 247 N LYS A 19 7.204 6.061 5.184 1.00 31.12 N ATOM 248 CA LYS A 19 8.373 6.533 5.916 1.00 14.11 C ATOM 249 C LYS A 19 9.057 7.675 5.171 1.00 61.33 C ATOM 250 O LYS A 19 9.444 7.529 4.012 1.00 41.24 O ATOM 251 CB LYS A 19 9.364 5.386 6.132 1.00 31.42 C ATOM 252 CG LYS A 19 8.711 4.102 6.612 1.00 63.43 C ATOM 253 CD LYS A 19 7.916 4.324 7.888 1.00 32.35 C ATOM 254 CE LYS A 19 8.828 4.626 9.068 1.00 61.05 C ATOM 255 NZ LYS A 19 8.097 4.570 10.363 1.00 44.31 N ATOM 0 H LYS A 19 7.224 5.067 4.954 1.00 31.12 H new ATOM 0 HA LYS A 19 8.038 6.903 6.885 1.00 14.11 H new ATOM 0 HB2 LYS A 19 9.889 5.190 5.197 1.00 31.42 H new ATOM 0 HB3 LYS A 19 10.114 5.697 6.860 1.00 31.42 H new ATOM 0 HG2 LYS A 19 8.052 3.715 5.835 1.00 63.43 H new ATOM 0 HG3 LYS A 19 9.477 3.346 6.786 1.00 63.43 H new ATOM 0 HD2 LYS A 19 7.219 5.150 7.745 1.00 32.35 H new ATOM 0 HD3 LYS A 19 7.320 3.438 8.105 1.00 32.35 H new ATOM 0 HE2 LYS A 19 9.650 3.910 9.084 1.00 61.05 H new ATOM 0 HE3 LYS A 19 9.269 5.615 8.942 1.00 61.05 H new ATOM 0 HZ1 LYS A 19 8.753 4.781 11.142 1.00 44.31 H new ATOM 0 HZ2 LYS A 19 7.328 5.270 10.358 1.00 44.31 H new ATOM 0 HZ3 LYS A 19 7.698 3.619 10.495 1.00 44.31 H new ATOM 265 N GLY A 20 9.202 8.812 5.844 1.00 32.13 N ATOM 266 CA GLY A 20 9.841 9.963 5.230 1.00 63.44 C ATOM 267 C GLY A 20 8.964 11.198 5.261 1.00 24.42 C ATOM 268 O GLY A 20 9.436 12.294 5.561 1.00 30.53 O ATOM 0 H GLY A 20 8.889 8.958 6.804 1.00 32.13 H new ATOM 0 HA2 GLY A 20 10.778 10.173 5.747 1.00 63.44 H new ATOM 0 HA3 GLY A 20 10.093 9.726 4.196 1.00 63.44 H new ATOM 272 N ALA A 21 7.683 11.022 4.950 1.00 54.44 N ATOM 273 CA ALA A 21 6.739 12.131 4.944 1.00 75.43 C ATOM 274 C ALA A 21 6.054 12.277 6.299 1.00 71.22 C ATOM 275 O ALA A 21 5.555 11.311 6.875 1.00 62.12 O ATOM 276 CB ALA A 21 5.704 11.938 3.846 1.00 24.52 C ATOM 0 H ALA A 21 7.276 10.121 4.699 1.00 54.44 H new ATOM 0 HA ALA A 21 7.295 13.047 4.747 1.00 75.43 H new ATOM 0 HB1 ALA A 21 5.005 12.774 3.854 1.00 24.52 H new ATOM 0 HB2 ALA A 21 6.204 11.892 2.879 1.00 24.52 H new ATOM 0 HB3 ALA A 21 5.160 11.009 4.018 1.00 24.52 H new ATOM 282 N PRO A 22 6.030 13.512 6.822 1.00 65.13 N ATOM 283 CA PRO A 22 5.410 13.811 8.115 1.00 33.21 C ATOM 284 C PRO A 22 3.890 13.695 8.070 1.00 74.11 C ATOM 285 O PRO A 22 3.327 13.129 7.133 1.00 53.53 O ATOM 286 CB PRO A 22 5.827 15.260 8.381 1.00 13.02 C ATOM 287 CG PRO A 22 6.074 15.838 7.030 1.00 32.03 C ATOM 288 CD PRO A 22 6.606 14.710 6.189 1.00 13.40 C ATOM 0 HA PRO A 22 5.726 13.112 8.890 1.00 33.21 H new ATOM 0 HB2 PRO A 22 5.045 15.806 8.908 1.00 13.02 H new ATOM 0 HB3 PRO A 22 6.722 15.307 9.001 1.00 13.02 H new ATOM 0 HG2 PRO A 22 5.156 16.243 6.605 1.00 32.03 H new ATOM 0 HG3 PRO A 22 6.790 16.658 7.081 1.00 32.03 H new ATOM 0 HD2 PRO A 22 6.295 14.803 5.148 1.00 13.40 H new ATOM 0 HD3 PRO A 22 7.696 14.683 6.195 1.00 13.40 H new ATOM 293 N LYS A 23 3.230 14.235 9.088 1.00 11.35 N ATOM 294 CA LYS A 23 1.773 14.194 9.166 1.00 54.41 C ATOM 295 C LYS A 23 1.147 14.652 7.853 1.00 23.31 C ATOM 296 O LYS A 23 0.318 13.951 7.271 1.00 33.22 O ATOM 297 CB LYS A 23 1.278 15.073 10.316 1.00 53.11 C ATOM 298 CG LYS A 23 1.284 14.374 11.663 1.00 22.24 C ATOM 299 CD LYS A 23 2.663 14.402 12.302 1.00 75.44 C ATOM 300 CE LYS A 23 2.689 13.623 13.607 1.00 53.23 C ATOM 301 NZ LYS A 23 2.027 14.369 14.712 1.00 53.13 N ATOM 0 H LYS A 23 3.680 14.707 9.872 1.00 11.35 H new ATOM 0 HA LYS A 23 1.472 13.163 9.352 1.00 54.41 H new ATOM 0 HB2 LYS A 23 1.903 15.964 10.376 1.00 53.11 H new ATOM 0 HB3 LYS A 23 0.265 15.409 10.095 1.00 53.11 H new ATOM 0 HG2 LYS A 23 0.565 14.855 12.326 1.00 22.24 H new ATOM 0 HG3 LYS A 23 0.961 13.340 11.539 1.00 22.24 H new ATOM 0 HD2 LYS A 23 3.394 13.981 11.611 1.00 75.44 H new ATOM 0 HD3 LYS A 23 2.958 15.435 12.488 1.00 75.44 H new ATOM 0 HE2 LYS A 23 2.191 12.664 13.467 1.00 53.23 H new ATOM 0 HE3 LYS A 23 3.722 13.409 13.881 1.00 53.23 H new ATOM 0 HZ1 LYS A 23 2.066 13.804 15.584 1.00 53.13 H new ATOM 0 HZ2 LYS A 23 2.518 15.273 14.863 1.00 53.13 H new ATOM 0 HZ3 LYS A 23 1.034 14.551 14.462 1.00 53.13 H new ATOM 311 N LYS A 24 1.548 15.832 7.391 1.00 23.13 N ATOM 312 CA LYS A 24 1.028 16.384 6.146 1.00 24.52 C ATOM 313 C LYS A 24 2.115 16.438 5.079 1.00 52.12 C ATOM 314 O LYS A 24 3.226 16.914 5.315 1.00 73.44 O ATOM 315 CB LYS A 24 0.458 17.785 6.384 1.00 5.42 C ATOM 316 CG LYS A 24 -0.529 18.229 5.318 1.00 0.03 C ATOM 317 CD LYS A 24 -1.818 17.429 5.386 1.00 21.52 C ATOM 318 CE LYS A 24 -2.768 17.805 4.257 1.00 52.23 C ATOM 319 NZ LYS A 24 -2.379 17.164 2.970 1.00 23.33 N ATOM 0 H LYS A 24 2.232 16.425 7.861 1.00 23.13 H new ATOM 0 HA LYS A 24 0.231 15.730 5.792 1.00 24.52 H new ATOM 0 HB2 LYS A 24 -0.035 17.807 7.356 1.00 5.42 H new ATOM 0 HB3 LYS A 24 1.280 18.500 6.427 1.00 5.42 H new ATOM 0 HG2 LYS A 24 -0.750 19.289 5.444 1.00 0.03 H new ATOM 0 HG3 LYS A 24 -0.079 18.112 4.332 1.00 0.03 H new ATOM 0 HD2 LYS A 24 -1.590 16.364 5.332 1.00 21.52 H new ATOM 0 HD3 LYS A 24 -2.305 17.602 6.346 1.00 21.52 H new ATOM 0 HE2 LYS A 24 -3.782 17.505 4.520 1.00 52.23 H new ATOM 0 HE3 LYS A 24 -2.777 18.888 4.135 1.00 52.23 H new ATOM 0 HZ1 LYS A 24 -2.975 17.535 2.203 1.00 23.33 H new ATOM 0 HZ2 LYS A 24 -1.381 17.374 2.765 1.00 23.33 H new ATOM 0 HZ3 LYS A 24 -2.509 16.135 3.042 1.00 23.33 H new ATOM 366 N ARG A 28 5.094 16.960 -3.514 1.00 60.34 N ATOM 367 CA ARG A 28 4.392 15.907 -4.239 1.00 0.13 C ATOM 368 C ARG A 28 5.009 14.543 -3.947 1.00 64.15 C ATOM 369 O ARG A 28 6.221 14.423 -3.763 1.00 72.12 O ATOM 370 CB ARG A 28 4.428 16.183 -5.744 1.00 3.22 C ATOM 371 CG ARG A 28 5.829 16.411 -6.288 1.00 23.40 C ATOM 372 CD ARG A 28 5.879 16.213 -7.795 1.00 64.23 C ATOM 373 NE ARG A 28 6.810 17.136 -8.438 1.00 2.12 N ATOM 374 CZ ARG A 28 6.933 17.258 -9.755 1.00 2.54 C ATOM 375 NH1 ARG A 28 6.187 16.518 -10.565 1.00 35.14 N ATOM 376 NH2 ARG A 28 7.803 18.120 -10.264 1.00 53.14 N ATOM 0 HA ARG A 28 3.355 15.898 -3.903 1.00 0.13 H new ATOM 0 HB2 ARG A 28 3.976 15.342 -6.270 1.00 3.22 H new ATOM 0 HB3 ARG A 28 3.817 17.060 -5.959 1.00 3.22 H new ATOM 0 HG2 ARG A 28 6.157 17.421 -6.041 1.00 23.40 H new ATOM 0 HG3 ARG A 28 6.524 15.724 -5.806 1.00 23.40 H new ATOM 0 HD2 ARG A 28 6.175 15.187 -8.016 1.00 64.23 H new ATOM 0 HD3 ARG A 28 4.882 16.354 -8.212 1.00 64.23 H new ATOM 0 HE ARG A 28 7.398 17.719 -7.843 1.00 2.12 H new ATOM 0 HH11 ARG A 28 5.517 15.854 -10.177 1.00 35.14 H new ATOM 0 HH12 ARG A 28 6.283 16.613 -11.576 1.00 35.14 H new ATOM 0 HH21 ARG A 28 8.378 18.690 -9.644 1.00 53.14 H new ATOM 0 HH22 ARG A 28 7.897 18.213 -11.275 1.00 53.14 H new ATOM 387 N LEU A 29 4.166 13.516 -3.904 1.00 45.43 N ATOM 388 CA LEU A 29 4.628 12.158 -3.634 1.00 3.04 C ATOM 389 C LEU A 29 3.949 11.158 -4.563 1.00 3.42 C ATOM 390 O LEU A 29 2.851 11.404 -5.061 1.00 10.41 O ATOM 391 CB LEU A 29 4.353 11.787 -2.175 1.00 70.31 C ATOM 392 CG LEU A 29 3.015 12.257 -1.604 1.00 1.44 C ATOM 393 CD1 LEU A 29 1.859 11.577 -2.318 1.00 31.00 C ATOM 394 CD2 LEU A 29 2.952 11.989 -0.106 1.00 75.54 C ATOM 0 H LEU A 29 3.160 13.598 -4.052 1.00 45.43 H new ATOM 0 HA LEU A 29 5.702 12.122 -3.815 1.00 3.04 H new ATOM 0 HB2 LEU A 29 4.404 10.702 -2.081 1.00 70.31 H new ATOM 0 HB3 LEU A 29 5.153 12.199 -1.559 1.00 70.31 H new ATOM 0 HG LEU A 29 2.931 13.332 -1.766 1.00 1.44 H new ATOM 0 HD11 LEU A 29 0.916 11.925 -1.897 1.00 31.00 H new ATOM 0 HD12 LEU A 29 1.894 11.820 -3.380 1.00 31.00 H new ATOM 0 HD13 LEU A 29 1.937 10.497 -2.190 1.00 31.00 H new ATOM 0 HD21 LEU A 29 1.993 12.330 0.285 1.00 75.54 H new ATOM 0 HD22 LEU A 29 3.059 10.920 0.077 1.00 75.54 H new ATOM 0 HD23 LEU A 29 3.758 12.526 0.394 1.00 75.54 H new ATOM 405 N GLU A 30 4.609 10.026 -4.790 1.00 4.52 N ATOM 406 CA GLU A 30 4.069 8.988 -5.658 1.00 24.52 C ATOM 407 C GLU A 30 3.907 7.674 -4.899 1.00 74.25 C ATOM 408 O GLU A 30 4.751 7.309 -4.081 1.00 11.33 O ATOM 409 CB GLU A 30 4.977 8.780 -6.871 1.00 53.34 C ATOM 410 CG GLU A 30 4.310 8.028 -8.011 1.00 3.42 C ATOM 411 CD GLU A 30 3.653 8.954 -9.015 1.00 44.53 C ATOM 412 OE1 GLU A 30 4.183 10.063 -9.234 1.00 13.34 O ATOM 413 OE2 GLU A 30 2.610 8.570 -9.583 1.00 10.21 O ATOM 0 H GLU A 30 5.518 9.805 -4.384 1.00 4.52 H new ATOM 0 HA GLU A 30 3.087 9.314 -6.001 1.00 24.52 H new ATOM 0 HB2 GLU A 30 5.311 9.752 -7.235 1.00 53.34 H new ATOM 0 HB3 GLU A 30 5.867 8.234 -6.558 1.00 53.34 H new ATOM 0 HG2 GLU A 30 5.053 7.414 -8.520 1.00 3.42 H new ATOM 0 HG3 GLU A 30 3.561 7.349 -7.604 1.00 3.42 H new ATOM 418 N TRP A 31 2.818 6.968 -5.176 1.00 45.14 N ATOM 419 CA TRP A 31 2.545 5.693 -4.519 1.00 55.44 C ATOM 420 C TRP A 31 2.359 4.581 -5.545 1.00 44.30 C ATOM 421 O TRP A 31 1.763 4.788 -6.601 1.00 73.11 O ATOM 422 CB TRP A 31 1.298 5.805 -3.640 1.00 14.20 C ATOM 423 CG TRP A 31 1.267 4.807 -2.522 1.00 54.10 C ATOM 424 CD1 TRP A 31 1.212 3.448 -2.639 1.00 52.12 C ATOM 425 CD2 TRP A 31 1.289 5.092 -1.119 1.00 71.15 C ATOM 426 NE1 TRP A 31 1.197 2.869 -1.394 1.00 35.13 N ATOM 427 CE2 TRP A 31 1.244 3.856 -0.443 1.00 53.45 C ATOM 428 CE3 TRP A 31 1.345 6.268 -0.368 1.00 32.33 C ATOM 429 CZ2 TRP A 31 1.252 3.767 0.946 1.00 42.35 C ATOM 430 CZ3 TRP A 31 1.351 6.177 1.011 1.00 22.25 C ATOM 431 CH2 TRP A 31 1.306 4.935 1.656 1.00 3.32 C ATOM 0 H TRP A 31 2.109 7.255 -5.851 1.00 45.14 H new ATOM 0 HA TRP A 31 3.402 5.445 -3.893 1.00 55.44 H new ATOM 0 HB2 TRP A 31 1.246 6.810 -3.222 1.00 14.20 H new ATOM 0 HB3 TRP A 31 0.412 5.672 -4.261 1.00 14.20 H new ATOM 0 HD1 TRP A 31 1.184 2.908 -3.574 1.00 52.12 H new ATOM 0 HE1 TRP A 31 1.157 1.867 -1.207 1.00 35.13 H new ATOM 0 HE3 TRP A 31 1.383 7.231 -0.856 1.00 32.33 H new ATOM 0 HZ2 TRP A 31 1.217 2.810 1.445 1.00 42.35 H new ATOM 0 HZ3 TRP A 31 1.391 7.080 1.602 1.00 22.25 H new ATOM 0 HH2 TRP A 31 1.314 4.898 2.735 1.00 3.32 H new ATOM 441 N LYS A 32 2.875 3.397 -5.228 1.00 14.54 N ATOM 442 CA LYS A 32 2.766 2.251 -6.122 1.00 1.51 C ATOM 443 C LYS A 32 2.592 0.958 -5.329 1.00 3.24 C ATOM 444 O LYS A 32 3.221 0.768 -4.287 1.00 51.45 O ATOM 445 CB LYS A 32 4.006 2.152 -7.012 1.00 31.20 C ATOM 446 CG LYS A 32 4.026 3.169 -8.141 1.00 51.03 C ATOM 447 CD LYS A 32 5.076 2.823 -9.184 1.00 11.25 C ATOM 448 CE LYS A 32 6.395 3.529 -8.902 1.00 1.35 C ATOM 449 NZ LYS A 32 7.187 3.740 -10.144 1.00 21.24 N ATOM 0 H LYS A 32 3.373 3.207 -4.358 1.00 14.54 H new ATOM 0 HA LYS A 32 1.887 2.394 -6.750 1.00 1.51 H new ATOM 0 HB2 LYS A 32 4.896 2.286 -6.397 1.00 31.20 H new ATOM 0 HB3 LYS A 32 4.060 1.149 -7.436 1.00 31.20 H new ATOM 0 HG2 LYS A 32 3.044 3.211 -8.612 1.00 51.03 H new ATOM 0 HG3 LYS A 32 4.227 4.160 -7.735 1.00 51.03 H new ATOM 0 HD2 LYS A 32 5.235 1.745 -9.198 1.00 11.25 H new ATOM 0 HD3 LYS A 32 4.715 3.105 -10.173 1.00 11.25 H new ATOM 0 HE2 LYS A 32 6.198 4.491 -8.429 1.00 1.35 H new ATOM 0 HE3 LYS A 32 6.979 2.940 -8.195 1.00 1.35 H new ATOM 0 HZ1 LYS A 32 8.078 4.223 -9.910 1.00 21.24 H new ATOM 0 HZ2 LYS A 32 7.397 2.821 -10.582 1.00 21.24 H new ATOM 0 HZ3 LYS A 32 6.641 4.324 -10.809 1.00 21.24 H new ATOM 459 N LEU A 33 1.738 0.074 -5.829 1.00 60.53 N ATOM 460 CA LEU A 33 1.482 -1.202 -5.169 1.00 1.21 C ATOM 461 C LEU A 33 1.418 -2.338 -6.185 1.00 72.01 C ATOM 462 O LEU A 33 0.804 -2.205 -7.241 1.00 52.21 O ATOM 463 CB LEU A 33 0.175 -1.137 -4.377 1.00 52.52 C ATOM 464 CG LEU A 33 -0.551 -2.466 -4.169 1.00 71.10 C ATOM 465 CD1 LEU A 33 0.248 -3.373 -3.246 1.00 13.43 C ATOM 466 CD2 LEU A 33 -1.946 -2.229 -3.611 1.00 31.42 C ATOM 0 H LEU A 33 1.210 0.216 -6.690 1.00 60.53 H new ATOM 0 HA LEU A 33 2.306 -1.399 -4.483 1.00 1.21 H new ATOM 0 HB2 LEU A 33 0.387 -0.705 -3.399 1.00 52.52 H new ATOM 0 HB3 LEU A 33 -0.502 -0.452 -4.888 1.00 52.52 H new ATOM 0 HG LEU A 33 -0.647 -2.961 -5.135 1.00 71.10 H new ATOM 0 HD11 LEU A 33 -0.285 -4.314 -3.110 1.00 13.43 H new ATOM 0 HD12 LEU A 33 1.226 -3.570 -3.686 1.00 13.43 H new ATOM 0 HD13 LEU A 33 0.377 -2.886 -2.279 1.00 13.43 H new ATOM 0 HD21 LEU A 33 -2.449 -3.186 -3.469 1.00 31.42 H new ATOM 0 HD22 LEU A 33 -1.872 -1.712 -2.654 1.00 31.42 H new ATOM 0 HD23 LEU A 33 -2.518 -1.619 -4.309 1.00 31.42 H new ATOM 477 N ASN A 34 2.056 -3.457 -5.855 1.00 0.12 N ATOM 478 CA ASN A 34 2.070 -4.617 -6.738 1.00 24.42 C ATOM 479 C ASN A 34 1.346 -5.798 -6.095 1.00 73.51 C ATOM 480 O ASN A 34 1.726 -6.266 -5.022 1.00 14.51 O ATOM 481 CB ASN A 34 3.509 -5.010 -7.076 1.00 42.10 C ATOM 482 CG ASN A 34 3.594 -6.360 -7.759 1.00 52.25 C ATOM 483 OD1 ASN A 34 3.469 -7.403 -7.117 1.00 0.31 O ATOM 484 ND2 ASN A 34 3.810 -6.347 -9.069 1.00 72.42 N ATOM 0 H ASN A 34 2.570 -3.584 -4.983 1.00 0.12 H new ATOM 0 HA ASN A 34 1.549 -4.349 -7.657 1.00 24.42 H new ATOM 0 HB2 ASN A 34 3.948 -4.250 -7.723 1.00 42.10 H new ATOM 0 HB3 ASN A 34 4.101 -5.031 -6.161 1.00 42.10 H new ATOM 0 HD21 ASN A 34 3.878 -7.225 -9.583 1.00 72.42 H new ATOM 0 HD22 ASN A 34 3.907 -5.459 -9.561 1.00 72.42 H new ATOM 490 N THR A 35 0.300 -6.276 -6.762 1.00 65.24 N ATOM 491 CA THR A 35 -0.478 -7.401 -6.258 1.00 52.50 C ATOM 492 C THR A 35 -0.831 -8.372 -7.380 1.00 24.43 C ATOM 493 O THR A 35 -0.466 -8.161 -8.534 1.00 34.24 O ATOM 494 CB THR A 35 -1.775 -6.927 -5.576 1.00 73.14 C ATOM 495 OG1 THR A 35 -2.601 -6.237 -6.521 1.00 43.44 O ATOM 496 CG2 THR A 35 -1.464 -6.011 -4.401 1.00 23.21 C ATOM 0 H THR A 35 -0.028 -5.902 -7.652 1.00 65.24 H new ATOM 0 HA THR A 35 0.144 -7.911 -5.522 1.00 52.50 H new ATOM 0 HB THR A 35 -2.305 -7.803 -5.203 1.00 73.14 H new ATOM 0 HG1 THR A 35 -3.424 -5.940 -6.080 1.00 43.44 H new ATOM 0 HG21 THR A 35 -2.395 -5.689 -3.935 1.00 23.21 H new ATOM 0 HG22 THR A 35 -0.859 -6.549 -3.671 1.00 23.21 H new ATOM 0 HG23 THR A 35 -0.915 -5.139 -4.755 1.00 23.21 H new ATOM 504 N GLY A 36 -1.546 -9.437 -7.030 1.00 32.43 N ATOM 505 CA GLY A 36 -1.939 -10.424 -8.019 1.00 12.02 C ATOM 506 C GLY A 36 -0.814 -11.382 -8.360 1.00 22.43 C ATOM 507 O GLY A 36 -0.181 -11.948 -7.469 1.00 10.10 O ATOM 0 H GLY A 36 -1.860 -9.634 -6.080 1.00 32.43 H new ATOM 0 HA2 GLY A 36 -2.793 -10.989 -7.645 1.00 12.02 H new ATOM 0 HA3 GLY A 36 -2.266 -9.915 -8.926 1.00 12.02 H new ATOM 511 N ARG A 37 -0.567 -11.564 -9.653 1.00 70.15 N ATOM 512 CA ARG A 37 0.487 -12.462 -10.110 1.00 23.33 C ATOM 513 C ARG A 37 1.617 -11.682 -10.773 1.00 13.43 C ATOM 514 O ARG A 37 2.793 -12.003 -10.602 1.00 42.35 O ATOM 515 CB ARG A 37 -0.081 -13.491 -11.089 1.00 54.35 C ATOM 516 CG ARG A 37 -0.475 -14.804 -10.433 1.00 23.11 C ATOM 517 CD ARG A 37 -1.747 -14.656 -9.613 1.00 55.34 C ATOM 518 NE ARG A 37 -2.327 -15.951 -9.264 1.00 72.02 N ATOM 519 CZ ARG A 37 -2.918 -16.753 -10.143 1.00 55.44 C ATOM 520 NH1 ARG A 37 -3.005 -16.396 -11.417 1.00 52.11 N ATOM 521 NH2 ARG A 37 -3.421 -17.915 -9.748 1.00 51.14 N ATOM 0 H ARG A 37 -1.082 -11.102 -10.402 1.00 70.15 H new ATOM 0 HA ARG A 37 0.890 -12.981 -9.241 1.00 23.33 H new ATOM 0 HB2 ARG A 37 -0.954 -13.066 -11.584 1.00 54.35 H new ATOM 0 HB3 ARG A 37 0.659 -13.690 -11.864 1.00 54.35 H new ATOM 0 HG2 ARG A 37 -0.621 -15.566 -11.199 1.00 23.11 H new ATOM 0 HG3 ARG A 37 0.335 -15.149 -9.791 1.00 23.11 H new ATOM 0 HD2 ARG A 37 -1.528 -14.099 -8.702 1.00 55.34 H new ATOM 0 HD3 ARG A 37 -2.475 -14.072 -10.176 1.00 55.34 H new ATOM 0 HE ARG A 37 -2.275 -16.256 -8.292 1.00 72.02 H new ATOM 0 HH11 ARG A 37 -2.618 -15.504 -11.724 1.00 52.11 H new ATOM 0 HH12 ARG A 37 -3.459 -17.014 -12.090 1.00 52.11 H new ATOM 0 HH21 ARG A 37 -3.354 -18.193 -8.769 1.00 51.14 H new ATOM 0 HH22 ARG A 37 -3.875 -18.530 -10.423 1.00 51.14 H new ATOM 532 N THR A 38 1.253 -10.653 -11.531 1.00 12.41 N ATOM 533 CA THR A 38 2.236 -9.826 -12.221 1.00 74.44 C ATOM 534 C THR A 38 1.558 -8.726 -13.031 1.00 31.31 C ATOM 535 O THR A 38 2.114 -7.641 -13.206 1.00 3.22 O ATOM 536 CB THR A 38 3.118 -10.670 -13.163 1.00 21.04 C ATOM 537 OG1 THR A 38 4.252 -9.905 -13.585 1.00 73.30 O ATOM 538 CG2 THR A 38 2.328 -11.130 -14.377 1.00 22.23 C ATOM 0 H THR A 38 0.284 -10.372 -11.683 1.00 12.41 H new ATOM 0 HA THR A 38 2.864 -9.374 -11.453 1.00 74.44 H new ATOM 0 HB THR A 38 3.457 -11.551 -12.617 1.00 21.04 H new ATOM 0 HG1 THR A 38 4.809 -10.447 -14.182 1.00 73.30 H new ATOM 0 HG21 THR A 38 2.972 -11.723 -15.026 1.00 22.23 H new ATOM 0 HG22 THR A 38 1.482 -11.736 -14.052 1.00 22.23 H new ATOM 0 HG23 THR A 38 1.963 -10.261 -14.924 1.00 22.23 H new ATOM 546 N GLU A 39 0.356 -9.012 -13.520 1.00 60.54 N ATOM 547 CA GLU A 39 -0.396 -8.045 -14.310 1.00 60.31 C ATOM 548 C GLU A 39 -1.508 -7.409 -13.479 1.00 40.45 C ATOM 549 O GLU A 39 -2.577 -7.090 -13.995 1.00 13.52 O ATOM 550 CB GLU A 39 -0.993 -8.719 -15.548 1.00 52.10 C ATOM 551 CG GLU A 39 0.047 -9.140 -16.573 1.00 24.24 C ATOM 552 CD GLU A 39 -0.433 -10.273 -17.459 1.00 33.22 C ATOM 553 OE1 GLU A 39 -1.117 -9.990 -18.465 1.00 34.53 O ATOM 554 OE2 GLU A 39 -0.123 -11.442 -17.148 1.00 63.44 O ATOM 0 H GLU A 39 -0.118 -9.905 -13.383 1.00 60.54 H new ATOM 0 HA GLU A 39 0.291 -7.261 -14.627 1.00 60.31 H new ATOM 0 HB2 GLU A 39 -1.559 -9.596 -15.236 1.00 52.10 H new ATOM 0 HB3 GLU A 39 -1.699 -8.035 -16.019 1.00 52.10 H new ATOM 0 HG2 GLU A 39 0.307 -8.283 -17.194 1.00 24.24 H new ATOM 0 HG3 GLU A 39 0.957 -9.447 -16.057 1.00 24.24 H new ATOM 559 N ALA A 40 -1.244 -7.230 -12.188 1.00 0.41 N ATOM 560 CA ALA A 40 -2.218 -6.632 -11.285 1.00 21.52 C ATOM 561 C ALA A 40 -1.651 -5.388 -10.611 1.00 24.05 C ATOM 562 O ALA A 40 -2.367 -4.667 -9.914 1.00 50.01 O ATOM 563 CB ALA A 40 -2.664 -7.645 -10.241 1.00 54.31 C ATOM 0 H ALA A 40 -0.363 -7.491 -11.745 1.00 0.41 H new ATOM 0 HA ALA A 40 -3.084 -6.331 -11.874 1.00 21.52 H new ATOM 0 HB1 ALA A 40 -3.392 -7.183 -9.574 1.00 54.31 H new ATOM 0 HB2 ALA A 40 -3.119 -8.502 -10.737 1.00 54.31 H new ATOM 0 HB3 ALA A 40 -1.801 -7.976 -9.663 1.00 54.31 H new ATOM 569 N TRP A 41 -0.362 -5.144 -10.819 1.00 30.05 N ATOM 570 CA TRP A 41 0.302 -3.987 -10.229 1.00 74.40 C ATOM 571 C TRP A 41 -0.319 -2.688 -10.731 1.00 53.13 C ATOM 572 O TRP A 41 -0.483 -2.492 -11.936 1.00 40.12 O ATOM 573 CB TRP A 41 1.796 -4.012 -10.551 1.00 71.03 C ATOM 574 CG TRP A 41 2.096 -3.748 -11.996 1.00 14.41 C ATOM 575 CD1 TRP A 41 1.797 -4.554 -13.056 1.00 1.23 C ATOM 576 CD2 TRP A 41 2.757 -2.598 -12.538 1.00 62.54 C ATOM 577 NE1 TRP A 41 2.231 -3.976 -14.225 1.00 14.12 N ATOM 578 CE2 TRP A 41 2.823 -2.776 -13.933 1.00 70.11 C ATOM 579 CE3 TRP A 41 3.297 -1.437 -11.980 1.00 31.54 C ATOM 580 CZ2 TRP A 41 3.408 -1.834 -14.776 1.00 1.13 C ATOM 581 CZ3 TRP A 41 3.877 -0.503 -12.817 1.00 54.34 C ATOM 582 CH2 TRP A 41 3.930 -0.706 -14.202 1.00 34.41 C ATOM 0 H TRP A 41 0.244 -5.732 -11.392 1.00 30.05 H new ATOM 0 HA TRP A 41 0.170 -4.035 -9.148 1.00 74.40 H new ATOM 0 HB2 TRP A 41 2.305 -3.267 -9.939 1.00 71.03 H new ATOM 0 HB3 TRP A 41 2.204 -4.984 -10.274 1.00 71.03 H new ATOM 0 HD1 TRP A 41 1.293 -5.507 -12.986 1.00 1.23 H new ATOM 0 HE1 TRP A 41 2.129 -4.376 -15.158 1.00 14.12 H new ATOM 0 HE3 TRP A 41 3.262 -1.272 -10.913 1.00 31.54 H new ATOM 0 HZ2 TRP A 41 3.448 -1.988 -15.844 1.00 1.13 H new ATOM 0 HZ3 TRP A 41 4.297 0.399 -12.396 1.00 54.34 H new ATOM 0 HH2 TRP A 41 4.392 0.042 -14.829 1.00 34.41 H new ATOM 592 N LYS A 42 -0.662 -1.802 -9.803 1.00 52.23 N ATOM 593 CA LYS A 42 -1.263 -0.520 -10.151 1.00 75.20 C ATOM 594 C LYS A 42 -0.571 0.623 -9.414 1.00 73.24 C ATOM 595 O LYS A 42 0.066 0.414 -8.383 1.00 20.20 O ATOM 596 CB LYS A 42 -2.756 -0.527 -9.820 1.00 22.12 C ATOM 597 CG LYS A 42 -3.052 -0.817 -8.358 1.00 74.02 C ATOM 598 CD LYS A 42 -3.519 -2.250 -8.158 1.00 64.32 C ATOM 599 CE LYS A 42 -3.847 -2.531 -6.700 1.00 10.14 C ATOM 600 NZ LYS A 42 -5.305 -2.753 -6.491 1.00 51.11 N ATOM 0 H LYS A 42 -0.534 -1.949 -8.802 1.00 52.23 H new ATOM 0 HA LYS A 42 -1.137 -0.366 -11.223 1.00 75.20 H new ATOM 0 HB2 LYS A 42 -3.183 0.441 -10.084 1.00 22.12 H new ATOM 0 HB3 LYS A 42 -3.254 -1.274 -10.438 1.00 22.12 H new ATOM 0 HG2 LYS A 42 -2.157 -0.638 -7.762 1.00 74.02 H new ATOM 0 HG3 LYS A 42 -3.818 -0.130 -7.997 1.00 74.02 H new ATOM 0 HD2 LYS A 42 -4.400 -2.436 -8.773 1.00 64.32 H new ATOM 0 HD3 LYS A 42 -2.744 -2.937 -8.497 1.00 64.32 H new ATOM 0 HE2 LYS A 42 -3.295 -3.410 -6.367 1.00 10.14 H new ATOM 0 HE3 LYS A 42 -3.516 -1.694 -6.086 1.00 10.14 H new ATOM 0 HZ1 LYS A 42 -5.487 -2.941 -5.484 1.00 51.11 H new ATOM 0 HZ2 LYS A 42 -5.831 -1.905 -6.785 1.00 51.11 H new ATOM 0 HZ3 LYS A 42 -5.617 -3.568 -7.057 1.00 51.11 H new ATOM 610 N VAL A 43 -0.703 1.832 -9.951 1.00 33.42 N ATOM 611 CA VAL A 43 -0.095 3.009 -9.343 1.00 42.43 C ATOM 612 C VAL A 43 -1.084 3.733 -8.437 1.00 11.51 C ATOM 613 O VAL A 43 -2.157 4.149 -8.876 1.00 64.43 O ATOM 614 CB VAL A 43 0.419 3.990 -10.412 1.00 74.35 C ATOM 615 CG1 VAL A 43 1.207 5.120 -9.767 1.00 23.42 C ATOM 616 CG2 VAL A 43 1.266 3.260 -11.443 1.00 71.25 C ATOM 0 H VAL A 43 -1.226 2.022 -10.806 1.00 33.42 H new ATOM 0 HA VAL A 43 0.748 2.658 -8.748 1.00 42.43 H new ATOM 0 HB VAL A 43 -0.440 4.424 -10.923 1.00 74.35 H new ATOM 0 HG11 VAL A 43 1.562 5.803 -10.539 1.00 23.42 H new ATOM 0 HG12 VAL A 43 0.565 5.661 -9.072 1.00 23.42 H new ATOM 0 HG13 VAL A 43 2.060 4.707 -9.228 1.00 23.42 H new ATOM 0 HG21 VAL A 43 1.621 3.969 -12.191 1.00 71.25 H new ATOM 0 HG22 VAL A 43 2.120 2.796 -10.950 1.00 71.25 H new ATOM 0 HG23 VAL A 43 0.665 2.491 -11.929 1.00 71.25 H new ATOM 626 N LEU A 44 -0.716 3.884 -7.170 1.00 52.32 N ATOM 627 CA LEU A 44 -1.570 4.559 -6.199 1.00 70.44 C ATOM 628 C LEU A 44 -1.276 6.056 -6.163 1.00 71.54 C ATOM 629 O LEU A 44 -0.130 6.476 -6.321 1.00 34.43 O ATOM 630 CB LEU A 44 -1.372 3.954 -4.808 1.00 13.15 C ATOM 631 CG LEU A 44 -2.196 2.707 -4.495 1.00 44.52 C ATOM 632 CD1 LEU A 44 -3.678 3.046 -4.429 1.00 10.45 C ATOM 633 CD2 LEU A 44 -1.942 1.624 -5.535 1.00 51.50 C ATOM 0 H LEU A 44 0.169 3.548 -6.790 1.00 52.32 H new ATOM 0 HA LEU A 44 -2.607 4.419 -6.504 1.00 70.44 H new ATOM 0 HB2 LEU A 44 -0.317 3.707 -4.688 1.00 13.15 H new ATOM 0 HB3 LEU A 44 -1.608 4.716 -4.065 1.00 13.15 H new ATOM 0 HG LEU A 44 -1.887 2.328 -3.521 1.00 44.52 H new ATOM 0 HD11 LEU A 44 -4.248 2.144 -4.205 1.00 10.45 H new ATOM 0 HD12 LEU A 44 -3.847 3.786 -3.647 1.00 10.45 H new ATOM 0 HD13 LEU A 44 -4.002 3.451 -5.388 1.00 10.45 H new ATOM 0 HD21 LEU A 44 -2.538 0.743 -5.296 1.00 51.50 H new ATOM 0 HD22 LEU A 44 -2.222 1.994 -6.521 1.00 51.50 H new ATOM 0 HD23 LEU A 44 -0.885 1.359 -5.533 1.00 51.50 H new ATOM 644 N SER A 45 -2.318 6.854 -5.954 1.00 64.23 N ATOM 645 CA SER A 45 -2.172 8.303 -5.899 1.00 50.20 C ATOM 646 C SER A 45 -2.757 8.858 -4.604 1.00 33.23 C ATOM 647 O SER A 45 -3.523 8.196 -3.904 1.00 22.14 O ATOM 648 CB SER A 45 -2.859 8.952 -7.102 1.00 51.34 C ATOM 649 OG SER A 45 -1.909 9.361 -8.072 1.00 64.32 O ATOM 0 H SER A 45 -3.273 6.521 -5.820 1.00 64.23 H new ATOM 0 HA SER A 45 -1.108 8.538 -5.927 1.00 50.20 H new ATOM 0 HB2 SER A 45 -3.559 8.247 -7.549 1.00 51.34 H new ATOM 0 HB3 SER A 45 -3.440 9.813 -6.772 1.00 51.34 H new ATOM 0 HG SER A 45 -2.373 9.771 -8.832 1.00 64.32 H new ATOM 772 N ALA A 56 -8.703 0.748 -2.928 1.00 53.13 N ATOM 773 CA ALA A 56 -8.331 1.365 -1.661 1.00 15.52 C ATOM 774 C ALA A 56 -8.321 2.886 -1.774 1.00 72.13 C ATOM 775 O ALA A 56 -8.458 3.437 -2.867 1.00 21.33 O ATOM 776 CB ALA A 56 -6.968 0.859 -1.207 1.00 34.42 C ATOM 0 HA ALA A 56 -9.077 1.086 -0.916 1.00 15.52 H new ATOM 0 HB1 ALA A 56 -6.703 1.328 -0.260 1.00 34.42 H new ATOM 0 HB2 ALA A 56 -7.006 -0.223 -1.078 1.00 34.42 H new ATOM 0 HB3 ALA A 56 -6.218 1.109 -1.958 1.00 34.42 H new ATOM 782 N ARG A 57 -8.157 3.558 -0.640 1.00 30.45 N ATOM 783 CA ARG A 57 -8.132 5.016 -0.613 1.00 62.42 C ATOM 784 C ARG A 57 -6.875 5.526 0.090 1.00 65.35 C ATOM 785 O ARG A 57 -6.253 4.804 0.870 1.00 74.31 O ATOM 786 CB ARG A 57 -9.377 5.556 0.094 1.00 73.15 C ATOM 787 CG ARG A 57 -10.668 4.891 -0.356 1.00 74.45 C ATOM 788 CD ARG A 57 -10.996 5.233 -1.802 1.00 22.23 C ATOM 789 NE ARG A 57 -10.962 6.673 -2.045 1.00 63.52 N ATOM 790 CZ ARG A 57 -11.903 7.512 -1.624 1.00 5.00 C ATOM 791 NH1 ARG A 57 -12.945 7.055 -0.942 1.00 33.43 N ATOM 792 NH2 ARG A 57 -11.801 8.808 -1.885 1.00 22.03 N ATOM 0 H ARG A 57 -8.039 3.117 0.272 1.00 30.45 H new ATOM 0 HA ARG A 57 -8.123 5.373 -1.643 1.00 62.42 H new ATOM 0 HB2 ARG A 57 -9.263 5.418 1.169 1.00 73.15 H new ATOM 0 HB3 ARG A 57 -9.449 6.629 -0.084 1.00 73.15 H new ATOM 0 HG2 ARG A 57 -10.579 3.810 -0.248 1.00 74.45 H new ATOM 0 HG3 ARG A 57 -11.487 5.209 0.289 1.00 74.45 H new ATOM 0 HD2 ARG A 57 -10.284 4.737 -2.462 1.00 22.23 H new ATOM 0 HD3 ARG A 57 -11.984 4.847 -2.051 1.00 22.23 H new ATOM 0 HE ARG A 57 -10.173 7.056 -2.566 1.00 63.52 H new ATOM 0 HH11 ARG A 57 -13.025 6.058 -0.740 1.00 33.43 H new ATOM 0 HH12 ARG A 57 -13.666 7.700 -0.620 1.00 33.43 H new ATOM 0 HH21 ARG A 57 -11.000 9.161 -2.409 1.00 22.03 H new ATOM 0 HH22 ARG A 57 -12.523 9.452 -1.562 1.00 22.03 H new ATOM 803 N VAL A 58 -6.509 6.771 -0.195 1.00 71.41 N ATOM 804 CA VAL A 58 -5.328 7.377 0.408 1.00 50.33 C ATOM 805 C VAL A 58 -5.716 8.452 1.415 1.00 12.22 C ATOM 806 O VAL A 58 -6.530 9.328 1.122 1.00 74.32 O ATOM 807 CB VAL A 58 -4.407 7.996 -0.660 1.00 15.35 C ATOM 808 CG1 VAL A 58 -3.487 9.033 -0.035 1.00 3.22 C ATOM 809 CG2 VAL A 58 -3.604 6.914 -1.365 1.00 71.32 C ATOM 0 H VAL A 58 -7.013 7.380 -0.840 1.00 71.41 H new ATOM 0 HA VAL A 58 -4.790 6.580 0.922 1.00 50.33 H new ATOM 0 HB VAL A 58 -5.028 8.496 -1.403 1.00 15.35 H new ATOM 0 HG11 VAL A 58 -2.844 9.460 -0.805 1.00 3.22 H new ATOM 0 HG12 VAL A 58 -4.085 9.824 0.418 1.00 3.22 H new ATOM 0 HG13 VAL A 58 -2.872 8.560 0.731 1.00 3.22 H new ATOM 0 HG21 VAL A 58 -2.959 7.370 -2.116 1.00 71.32 H new ATOM 0 HG22 VAL A 58 -2.992 6.382 -0.636 1.00 71.32 H new ATOM 0 HG23 VAL A 58 -4.284 6.213 -1.849 1.00 71.32 H new ATOM 819 N LEU A 59 -5.128 8.380 2.604 1.00 4.13 N ATOM 820 CA LEU A 59 -5.413 9.348 3.658 1.00 35.34 C ATOM 821 C LEU A 59 -4.860 10.724 3.296 1.00 50.41 C ATOM 822 O LEU A 59 -3.952 10.859 2.477 1.00 30.25 O ATOM 823 CB LEU A 59 -4.814 8.880 4.985 1.00 5.32 C ATOM 824 CG LEU A 59 -5.612 7.816 5.743 1.00 14.33 C ATOM 825 CD1 LEU A 59 -4.790 7.252 6.892 1.00 1.14 C ATOM 826 CD2 LEU A 59 -6.921 8.398 6.254 1.00 43.01 C ATOM 0 H LEU A 59 -4.451 7.662 2.863 1.00 4.13 H new ATOM 0 HA LEU A 59 -6.495 9.426 3.763 1.00 35.34 H new ATOM 0 HB2 LEU A 59 -3.815 8.488 4.792 1.00 5.32 H new ATOM 0 HB3 LEU A 59 -4.696 9.748 5.634 1.00 5.32 H new ATOM 0 HG LEU A 59 -5.844 7.002 5.056 1.00 14.33 H new ATOM 0 HD11 LEU A 59 -5.373 6.497 7.420 1.00 1.14 H new ATOM 0 HD12 LEU A 59 -3.879 6.799 6.500 1.00 1.14 H new ATOM 0 HD13 LEU A 59 -4.528 8.055 7.581 1.00 1.14 H new ATOM 0 HD21 LEU A 59 -7.476 7.629 6.791 1.00 43.01 H new ATOM 0 HD22 LEU A 59 -6.711 9.230 6.926 1.00 43.01 H new ATOM 0 HD23 LEU A 59 -7.515 8.753 5.412 1.00 43.01 H new ATOM 837 N PRO A 60 -5.419 11.770 3.923 1.00 14.12 N ATOM 838 CA PRO A 60 -4.996 13.153 3.686 1.00 72.31 C ATOM 839 C PRO A 60 -3.605 13.439 4.242 1.00 41.42 C ATOM 840 O PRO A 60 -2.930 14.368 3.804 1.00 32.00 O ATOM 841 CB PRO A 60 -6.048 13.979 4.430 1.00 64.21 C ATOM 842 CG PRO A 60 -6.562 13.069 5.491 1.00 31.54 C ATOM 843 CD PRO A 60 -6.506 11.683 4.913 1.00 32.52 C ATOM 0 HA PRO A 60 -4.929 13.380 2.622 1.00 72.31 H new ATOM 0 HB2 PRO A 60 -5.612 14.881 4.859 1.00 64.21 H new ATOM 0 HB3 PRO A 60 -6.847 14.298 3.761 1.00 64.21 H new ATOM 0 HG2 PRO A 60 -5.955 13.140 6.393 1.00 31.54 H new ATOM 0 HG3 PRO A 60 -7.582 13.334 5.771 1.00 31.54 H new ATOM 0 HD2 PRO A 60 -6.294 10.937 5.678 1.00 32.52 H new ATOM 0 HD3 PRO A 60 -7.451 11.403 4.448 1.00 32.52 H new ATOM 848 N ASN A 61 -3.183 12.630 5.209 1.00 53.03 N ATOM 849 CA ASN A 61 -1.871 12.796 5.825 1.00 72.22 C ATOM 850 C ASN A 61 -0.787 12.121 4.988 1.00 33.54 C ATOM 851 O ASN A 61 0.386 12.125 5.355 1.00 52.30 O ATOM 852 CB ASN A 61 -1.873 12.215 7.240 1.00 14.23 C ATOM 853 CG ASN A 61 -2.674 10.931 7.339 1.00 53.03 C ATOM 854 OD1 ASN A 61 -3.904 10.953 7.347 1.00 61.41 O ATOM 855 ND2 ASN A 61 -1.976 9.804 7.413 1.00 0.32 N ATOM 0 H ASN A 61 -3.730 11.854 5.582 1.00 53.03 H new ATOM 0 HA ASN A 61 -1.654 13.863 5.877 1.00 72.22 H new ATOM 0 HB2 ASN A 61 -0.846 12.024 7.552 1.00 14.23 H new ATOM 0 HB3 ASN A 61 -2.285 12.951 7.931 1.00 14.23 H new ATOM 0 HD21 ASN A 61 -2.459 8.908 7.480 1.00 0.32 H new ATOM 0 HD22 ASN A 61 -0.956 9.834 7.403 1.00 0.32 H new ATOM 861 N GLY A 62 -1.192 11.544 3.861 1.00 2.12 N ATOM 862 CA GLY A 62 -0.244 10.873 2.990 1.00 41.20 C ATOM 863 C GLY A 62 -0.095 9.401 3.318 1.00 32.15 C ATOM 864 O GLY A 62 0.967 8.816 3.104 1.00 44.01 O ATOM 0 H GLY A 62 -2.159 11.529 3.536 1.00 2.12 H new ATOM 0 HA2 GLY A 62 -0.568 10.980 1.955 1.00 41.20 H new ATOM 0 HA3 GLY A 62 0.728 11.360 3.072 1.00 41.20 H new ATOM 868 N SER A 63 -1.159 8.802 3.842 1.00 21.33 N ATOM 869 CA SER A 63 -1.140 7.390 4.207 1.00 15.34 C ATOM 870 C SER A 63 -2.071 6.584 3.307 1.00 34.21 C ATOM 871 O SER A 63 -2.700 7.128 2.399 1.00 71.15 O ATOM 872 CB SER A 63 -1.547 7.214 5.672 1.00 54.33 C ATOM 873 OG SER A 63 -0.465 7.503 6.540 1.00 12.34 O ATOM 0 H SER A 63 -2.046 9.272 4.024 1.00 21.33 H new ATOM 0 HA SER A 63 -0.124 7.019 4.074 1.00 15.34 H new ATOM 0 HB2 SER A 63 -2.386 7.871 5.901 1.00 54.33 H new ATOM 0 HB3 SER A 63 -1.887 6.192 5.838 1.00 54.33 H new ATOM 0 HG SER A 63 -0.751 7.385 7.470 1.00 12.34 H new ATOM 878 N LEU A 64 -2.155 5.284 3.568 1.00 51.03 N ATOM 879 CA LEU A 64 -3.010 4.401 2.782 1.00 61.25 C ATOM 880 C LEU A 64 -3.925 3.582 3.687 1.00 4.13 C ATOM 881 O LEU A 64 -3.470 2.948 4.638 1.00 52.53 O ATOM 882 CB LEU A 64 -2.158 3.467 1.921 1.00 24.04 C ATOM 883 CG LEU A 64 -2.913 2.370 1.170 1.00 3.03 C ATOM 884 CD1 LEU A 64 -3.938 2.978 0.224 1.00 54.54 C ATOM 885 CD2 LEU A 64 -1.944 1.479 0.409 1.00 54.44 C ATOM 0 H LEU A 64 -1.642 4.818 4.317 1.00 51.03 H new ATOM 0 HA LEU A 64 -3.630 5.020 2.133 1.00 61.25 H new ATOM 0 HB2 LEU A 64 -1.616 4.071 1.193 1.00 24.04 H new ATOM 0 HB3 LEU A 64 -1.413 2.994 2.561 1.00 24.04 H new ATOM 0 HG LEU A 64 -3.442 1.756 1.899 1.00 3.03 H new ATOM 0 HD11 LEU A 64 -4.465 2.182 -0.302 1.00 54.54 H new ATOM 0 HD12 LEU A 64 -4.653 3.571 0.794 1.00 54.54 H new ATOM 0 HD13 LEU A 64 -3.431 3.617 -0.499 1.00 54.54 H new ATOM 0 HD21 LEU A 64 -2.500 0.704 -0.119 1.00 54.44 H new ATOM 0 HD22 LEU A 64 -1.386 2.079 -0.310 1.00 54.44 H new ATOM 0 HD23 LEU A 64 -1.250 1.014 1.110 1.00 54.44 H new ATOM 896 N PHE A 65 -5.220 3.600 3.385 1.00 52.12 N ATOM 897 CA PHE A 65 -6.199 2.859 4.171 1.00 54.24 C ATOM 898 C PHE A 65 -7.023 1.934 3.279 1.00 71.02 C ATOM 899 O PHE A 65 -7.455 2.323 2.193 1.00 43.34 O ATOM 900 CB PHE A 65 -7.122 3.825 4.916 1.00 55.14 C ATOM 901 CG PHE A 65 -8.341 3.163 5.493 1.00 63.13 C ATOM 902 CD1 PHE A 65 -8.221 2.043 6.299 1.00 3.42 C ATOM 903 CD2 PHE A 65 -9.606 3.661 5.228 1.00 65.53 C ATOM 904 CE1 PHE A 65 -9.341 1.432 6.832 1.00 43.13 C ATOM 905 CE2 PHE A 65 -10.729 3.055 5.758 1.00 64.15 C ATOM 906 CZ PHE A 65 -10.596 1.938 6.560 1.00 71.31 C ATOM 0 H PHE A 65 -5.615 4.120 2.601 1.00 52.12 H new ATOM 0 HA PHE A 65 -5.661 2.250 4.897 1.00 54.24 H new ATOM 0 HB2 PHE A 65 -6.562 4.303 5.720 1.00 55.14 H new ATOM 0 HB3 PHE A 65 -7.436 4.615 4.233 1.00 55.14 H new ATOM 0 HD1 PHE A 65 -7.241 1.642 6.514 1.00 3.42 H new ATOM 0 HD2 PHE A 65 -9.716 4.533 4.600 1.00 65.53 H new ATOM 0 HE1 PHE A 65 -9.234 0.560 7.460 1.00 43.13 H new ATOM 0 HE2 PHE A 65 -11.710 3.454 5.545 1.00 64.15 H new ATOM 0 HZ PHE A 65 -11.473 1.462 6.973 1.00 71.31 H new ATOM 915 N LEU A 66 -7.237 0.709 3.745 1.00 11.03 N ATOM 916 CA LEU A 66 -8.010 -0.273 2.991 1.00 15.13 C ATOM 917 C LEU A 66 -9.245 -0.709 3.772 1.00 5.14 C ATOM 918 O LEU A 66 -9.164 -1.118 4.930 1.00 3.42 O ATOM 919 CB LEU A 66 -7.143 -1.489 2.664 1.00 71.13 C ATOM 920 CG LEU A 66 -6.142 -1.311 1.520 1.00 42.31 C ATOM 921 CD1 LEU A 66 -4.913 -0.557 2.001 1.00 32.44 C ATOM 922 CD2 LEU A 66 -5.748 -2.662 0.942 1.00 61.43 C ATOM 0 H LEU A 66 -6.886 0.371 4.641 1.00 11.03 H new ATOM 0 HA LEU A 66 -8.337 0.193 2.062 1.00 15.13 H new ATOM 0 HB2 LEU A 66 -6.592 -1.770 3.562 1.00 71.13 H new ATOM 0 HB3 LEU A 66 -7.800 -2.324 2.419 1.00 71.13 H new ATOM 0 HG LEU A 66 -6.618 -0.726 0.733 1.00 42.31 H new ATOM 0 HD11 LEU A 66 -4.212 -0.439 1.175 1.00 32.44 H new ATOM 0 HD12 LEU A 66 -5.209 0.426 2.368 1.00 32.44 H new ATOM 0 HD13 LEU A 66 -4.435 -1.116 2.806 1.00 32.44 H new ATOM 0 HD21 LEU A 66 -5.036 -2.517 0.130 1.00 61.43 H new ATOM 0 HD22 LEU A 66 -5.290 -3.272 1.721 1.00 61.43 H new ATOM 0 HD23 LEU A 66 -6.635 -3.167 0.560 1.00 61.43 H new ATOM 933 N PRO A 67 -10.416 -0.624 3.125 1.00 34.21 N ATOM 934 CA PRO A 67 -11.690 -1.008 3.740 1.00 75.55 C ATOM 935 C PRO A 67 -11.804 -2.514 3.944 1.00 42.11 C ATOM 936 O PRO A 67 -12.422 -2.974 4.903 1.00 1.51 O ATOM 937 CB PRO A 67 -12.732 -0.526 2.725 1.00 70.32 C ATOM 938 CG PRO A 67 -12.011 -0.504 1.423 1.00 71.24 C ATOM 939 CD PRO A 67 -10.586 -0.142 1.743 1.00 45.03 C ATOM 0 HA PRO A 67 -11.810 -0.576 4.734 1.00 75.55 H new ATOM 0 HB2 PRO A 67 -13.591 -1.196 2.691 1.00 70.32 H new ATOM 0 HB3 PRO A 67 -13.110 0.463 2.985 1.00 70.32 H new ATOM 0 HG2 PRO A 67 -12.066 -1.475 0.931 1.00 71.24 H new ATOM 0 HG3 PRO A 67 -12.455 0.223 0.744 1.00 71.24 H new ATOM 0 HD2 PRO A 67 -9.886 -0.623 1.060 1.00 45.03 H new ATOM 0 HD3 PRO A 67 -10.417 0.932 1.668 1.00 45.03 H new ATOM 944 N ALA A 68 -11.203 -3.276 3.038 1.00 65.23 N ATOM 945 CA ALA A 68 -11.234 -4.731 3.121 1.00 72.15 C ATOM 946 C ALA A 68 -10.243 -5.359 2.148 1.00 13.51 C ATOM 947 O ALA A 68 -10.500 -5.437 0.947 1.00 62.10 O ATOM 948 CB ALA A 68 -12.640 -5.246 2.849 1.00 35.04 C ATOM 0 H ALA A 68 -10.688 -2.910 2.237 1.00 65.23 H new ATOM 0 HA ALA A 68 -10.942 -5.017 4.131 1.00 72.15 H new ATOM 0 HB1 ALA A 68 -12.648 -6.334 2.914 1.00 35.04 H new ATOM 0 HB2 ALA A 68 -13.328 -4.833 3.587 1.00 35.04 H new ATOM 0 HB3 ALA A 68 -12.953 -4.940 1.851 1.00 35.04 H new ATOM 954 N VAL A 69 -9.105 -5.805 2.674 1.00 51.22 N ATOM 955 CA VAL A 69 -8.074 -6.426 1.851 1.00 55.24 C ATOM 956 C VAL A 69 -8.504 -7.813 1.386 1.00 31.20 C ATOM 957 O VAL A 69 -8.713 -8.715 2.196 1.00 23.24 O ATOM 958 CB VAL A 69 -6.742 -6.543 2.615 1.00 4.14 C ATOM 959 CG1 VAL A 69 -6.161 -5.164 2.889 1.00 40.13 C ATOM 960 CG2 VAL A 69 -6.938 -7.315 3.912 1.00 2.41 C ATOM 0 H VAL A 69 -8.875 -5.747 3.666 1.00 51.22 H new ATOM 0 HA VAL A 69 -7.931 -5.783 0.983 1.00 55.24 H new ATOM 0 HB VAL A 69 -6.034 -7.093 1.995 1.00 4.14 H new ATOM 0 HG11 VAL A 69 -5.220 -5.266 3.430 1.00 40.13 H new ATOM 0 HG12 VAL A 69 -5.983 -4.650 1.944 1.00 40.13 H new ATOM 0 HG13 VAL A 69 -6.863 -4.586 3.490 1.00 40.13 H new ATOM 0 HG21 VAL A 69 -5.987 -7.388 4.439 1.00 2.41 H new ATOM 0 HG22 VAL A 69 -7.661 -6.794 4.539 1.00 2.41 H new ATOM 0 HG23 VAL A 69 -7.306 -8.316 3.687 1.00 2.41 H new ATOM 970 N GLY A 70 -8.633 -7.977 0.073 1.00 41.54 N ATOM 971 CA GLY A 70 -9.036 -9.258 -0.478 1.00 73.41 C ATOM 972 C GLY A 70 -7.854 -10.159 -0.778 1.00 34.12 C ATOM 973 O GLY A 70 -6.724 -9.687 -0.907 1.00 71.50 O ATOM 0 H GLY A 70 -8.466 -7.246 -0.619 1.00 41.54 H new ATOM 0 HA2 GLY A 70 -9.701 -9.759 0.225 1.00 73.41 H new ATOM 0 HA3 GLY A 70 -9.605 -9.093 -1.393 1.00 73.41 H new ATOM 977 N ILE A 71 -8.114 -11.456 -0.889 1.00 20.32 N ATOM 978 CA ILE A 71 -7.063 -12.424 -1.174 1.00 65.42 C ATOM 979 C ILE A 71 -6.288 -12.040 -2.429 1.00 65.52 C ATOM 980 O ILE A 71 -5.086 -12.279 -2.525 1.00 54.13 O ATOM 981 CB ILE A 71 -7.637 -13.843 -1.353 1.00 2.23 C ATOM 982 CG1 ILE A 71 -6.602 -14.891 -0.939 1.00 2.42 C ATOM 983 CG2 ILE A 71 -8.072 -14.060 -2.795 1.00 2.14 C ATOM 984 CD1 ILE A 71 -6.514 -16.062 -1.892 1.00 51.42 C ATOM 0 H ILE A 71 -9.044 -11.862 -0.786 1.00 20.32 H new ATOM 0 HA ILE A 71 -6.389 -12.419 -0.317 1.00 65.42 H new ATOM 0 HB ILE A 71 -8.511 -13.950 -0.711 1.00 2.23 H new ATOM 0 HG12 ILE A 71 -5.624 -14.416 -0.869 1.00 2.42 H new ATOM 0 HG13 ILE A 71 -6.849 -15.261 0.056 1.00 2.42 H new ATOM 0 HG21 ILE A 71 -8.475 -15.067 -2.906 1.00 2.14 H new ATOM 0 HG22 ILE A 71 -8.839 -13.331 -3.057 1.00 2.14 H new ATOM 0 HG23 ILE A 71 -7.214 -13.938 -3.456 1.00 2.14 H new ATOM 0 HD11 ILE A 71 -5.761 -16.765 -1.536 1.00 51.42 H new ATOM 0 HD12 ILE A 71 -7.481 -16.562 -1.944 1.00 51.42 H new ATOM 0 HD13 ILE A 71 -6.237 -15.704 -2.884 1.00 51.42 H new ATOM 995 N GLN A 72 -6.988 -11.442 -3.390 1.00 12.23 N ATOM 996 CA GLN A 72 -6.364 -11.023 -4.639 1.00 42.45 C ATOM 997 C GLN A 72 -5.574 -9.733 -4.448 1.00 51.32 C ATOM 998 O GLN A 72 -4.675 -9.422 -5.230 1.00 31.11 O ATOM 999 CB GLN A 72 -7.426 -10.828 -5.722 1.00 33.50 C ATOM 1000 CG GLN A 72 -8.523 -9.853 -5.331 1.00 70.24 C ATOM 1001 CD GLN A 72 -9.247 -9.275 -6.532 1.00 3.15 C ATOM 1002 OE1 GLN A 72 -9.447 -8.065 -6.627 1.00 22.52 O ATOM 1003 NE2 GLN A 72 -9.644 -10.141 -7.456 1.00 23.21 N ATOM 0 H GLN A 72 -7.985 -11.238 -3.327 1.00 12.23 H new ATOM 0 HA GLN A 72 -5.674 -11.807 -4.952 1.00 42.45 H new ATOM 0 HB2 GLN A 72 -6.943 -10.472 -6.632 1.00 33.50 H new ATOM 0 HB3 GLN A 72 -7.876 -11.793 -5.956 1.00 33.50 H new ATOM 0 HG2 GLN A 72 -9.242 -10.360 -4.688 1.00 70.24 H new ATOM 0 HG3 GLN A 72 -8.090 -9.041 -4.747 1.00 70.24 H new ATOM 0 HE21 GLN A 72 -9.457 -11.136 -7.336 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -10.136 -9.811 -8.286 1.00 23.21 H new ATOM 1010 N ASP A 73 -5.915 -8.985 -3.404 1.00 44.23 N ATOM 1011 CA ASP A 73 -5.237 -7.728 -3.110 1.00 42.45 C ATOM 1012 C ASP A 73 -3.856 -7.983 -2.512 1.00 72.53 C ATOM 1013 O ASP A 73 -3.091 -7.050 -2.275 1.00 33.41 O ATOM 1014 CB ASP A 73 -6.074 -6.886 -2.147 1.00 31.52 C ATOM 1015 CG ASP A 73 -6.969 -5.897 -2.871 1.00 42.25 C ATOM 1016 OD1 ASP A 73 -8.039 -6.316 -3.361 1.00 34.30 O ATOM 1017 OD2 ASP A 73 -6.600 -4.708 -2.945 1.00 3.15 O ATOM 0 H ASP A 73 -6.657 -9.228 -2.747 1.00 44.23 H new ATOM 0 HA ASP A 73 -5.114 -7.182 -4.046 1.00 42.45 H new ATOM 0 HB2 ASP A 73 -6.688 -7.544 -1.532 1.00 31.52 H new ATOM 0 HB3 ASP A 73 -5.411 -6.345 -1.471 1.00 31.52 H new ATOM 1021 N GLU A 74 -3.546 -9.253 -2.271 1.00 22.25 N ATOM 1022 CA GLU A 74 -2.258 -9.630 -1.700 1.00 30.03 C ATOM 1023 C GLU A 74 -1.111 -9.162 -2.590 1.00 2.01 C ATOM 1024 O GLU A 74 -1.209 -9.192 -3.816 1.00 23.52 O ATOM 1025 CB GLU A 74 -2.186 -11.146 -1.506 1.00 55.54 C ATOM 1026 CG GLU A 74 -1.657 -11.560 -0.143 1.00 24.14 C ATOM 1027 CD GLU A 74 -0.263 -12.152 -0.212 1.00 75.44 C ATOM 1028 OE1 GLU A 74 -0.144 -13.359 -0.512 1.00 61.23 O ATOM 1029 OE2 GLU A 74 0.709 -11.408 0.032 1.00 1.35 O ATOM 0 H GLU A 74 -4.169 -10.038 -2.462 1.00 22.25 H new ATOM 0 HA GLU A 74 -2.162 -9.143 -0.730 1.00 30.03 H new ATOM 0 HB2 GLU A 74 -3.181 -11.569 -1.644 1.00 55.54 H new ATOM 0 HB3 GLU A 74 -1.548 -11.573 -2.279 1.00 55.54 H new ATOM 0 HG2 GLU A 74 -1.647 -10.693 0.517 1.00 24.14 H new ATOM 0 HG3 GLU A 74 -2.336 -12.289 0.299 1.00 24.14 H new ATOM 1034 N GLY A 75 -0.021 -8.729 -1.963 1.00 1.41 N ATOM 1035 CA GLY A 75 1.129 -8.262 -2.713 1.00 35.03 C ATOM 1036 C GLY A 75 2.078 -7.436 -1.864 1.00 64.23 C ATOM 1037 O GLY A 75 2.209 -7.671 -0.663 1.00 31.14 O ATOM 0 H GLY A 75 0.085 -8.694 -0.949 1.00 1.41 H new ATOM 0 HA2 GLY A 75 1.664 -9.119 -3.122 1.00 35.03 H new ATOM 0 HA3 GLY A 75 0.789 -7.664 -3.559 1.00 35.03 H new ATOM 1041 N ILE A 76 2.742 -6.471 -2.491 1.00 12.33 N ATOM 1042 CA ILE A 76 3.685 -5.611 -1.786 1.00 64.42 C ATOM 1043 C ILE A 76 3.418 -4.141 -2.088 1.00 34.30 C ATOM 1044 O ILE A 76 3.233 -3.757 -3.244 1.00 34.14 O ATOM 1045 CB ILE A 76 5.140 -5.945 -2.159 1.00 41.34 C ATOM 1046 CG1 ILE A 76 5.517 -7.334 -1.638 1.00 74.41 C ATOM 1047 CG2 ILE A 76 6.085 -4.890 -1.603 1.00 51.34 C ATOM 1048 CD1 ILE A 76 4.881 -8.464 -2.417 1.00 5.22 C ATOM 0 H ILE A 76 2.645 -6.265 -3.485 1.00 12.33 H new ATOM 0 HA ILE A 76 3.542 -5.793 -0.721 1.00 64.42 H new ATOM 0 HB ILE A 76 5.230 -5.948 -3.245 1.00 41.34 H new ATOM 0 HG12 ILE A 76 6.601 -7.444 -1.673 1.00 74.41 H new ATOM 0 HG13 ILE A 76 5.222 -7.413 -0.592 1.00 74.41 H new ATOM 0 HG21 ILE A 76 7.110 -5.140 -1.875 1.00 51.34 H new ATOM 0 HG22 ILE A 76 5.827 -3.916 -2.018 1.00 51.34 H new ATOM 0 HG23 ILE A 76 5.996 -4.857 -0.517 1.00 51.34 H new ATOM 0 HD11 ILE A 76 5.192 -9.419 -1.993 1.00 5.22 H new ATOM 0 HD12 ILE A 76 3.796 -8.379 -2.361 1.00 5.22 H new ATOM 0 HD13 ILE A 76 5.196 -8.410 -3.459 1.00 5.22 H new ATOM 1059 N PHE A 77 3.403 -3.319 -1.043 1.00 62.40 N ATOM 1060 CA PHE A 77 3.161 -1.890 -1.197 1.00 62.33 C ATOM 1061 C PHE A 77 4.470 -1.109 -1.161 1.00 2.41 C ATOM 1062 O PHE A 77 5.303 -1.314 -0.277 1.00 53.03 O ATOM 1063 CB PHE A 77 2.224 -1.388 -0.096 1.00 64.24 C ATOM 1064 CG PHE A 77 0.841 -1.970 -0.174 1.00 24.10 C ATOM 1065 CD1 PHE A 77 0.630 -3.321 0.054 1.00 51.30 C ATOM 1066 CD2 PHE A 77 -0.247 -1.167 -0.472 1.00 33.22 C ATOM 1067 CE1 PHE A 77 -0.641 -3.859 -0.018 1.00 32.13 C ATOM 1068 CE2 PHE A 77 -1.521 -1.699 -0.545 1.00 12.35 C ATOM 1069 CZ PHE A 77 -1.718 -3.046 -0.316 1.00 64.23 C ATOM 0 H PHE A 77 3.556 -3.619 -0.080 1.00 62.40 H new ATOM 0 HA PHE A 77 2.690 -1.730 -2.167 1.00 62.33 H new ATOM 0 HB2 PHE A 77 2.656 -1.628 0.875 1.00 64.24 H new ATOM 0 HB3 PHE A 77 2.156 -0.302 -0.155 1.00 64.24 H new ATOM 0 HD1 PHE A 77 1.468 -3.960 0.290 1.00 51.30 H new ATOM 0 HD2 PHE A 77 -0.099 -0.112 -0.650 1.00 33.22 H new ATOM 0 HE1 PHE A 77 -0.792 -4.914 0.158 1.00 32.13 H new ATOM 0 HE2 PHE A 77 -2.361 -1.062 -0.781 1.00 12.35 H new ATOM 0 HZ PHE A 77 -2.712 -3.464 -0.370 1.00 64.23 H new ATOM 1078 N ARG A 78 4.646 -0.215 -2.128 1.00 51.22 N ATOM 1079 CA ARG A 78 5.856 0.596 -2.208 1.00 51.14 C ATOM 1080 C ARG A 78 5.512 2.080 -2.294 1.00 64.22 C ATOM 1081 O ARG A 78 4.728 2.498 -3.148 1.00 21.01 O ATOM 1082 CB ARG A 78 6.692 0.184 -3.421 1.00 24.51 C ATOM 1083 CG ARG A 78 8.185 0.134 -3.143 1.00 44.23 C ATOM 1084 CD ARG A 78 8.928 1.226 -3.897 1.00 14.43 C ATOM 1085 NE ARG A 78 9.437 0.756 -5.182 1.00 21.42 N ATOM 1086 CZ ARG A 78 9.981 1.554 -6.093 1.00 13.40 C ATOM 1087 NH1 ARG A 78 10.090 2.855 -5.860 1.00 20.24 N ATOM 1088 NH2 ARG A 78 10.422 1.052 -7.239 1.00 42.04 N ATOM 0 H ARG A 78 3.967 -0.033 -2.867 1.00 51.22 H new ATOM 0 HA ARG A 78 6.436 0.428 -1.301 1.00 51.14 H new ATOM 0 HB2 ARG A 78 6.362 -0.797 -3.763 1.00 24.51 H new ATOM 0 HB3 ARG A 78 6.506 0.885 -4.235 1.00 24.51 H new ATOM 0 HG2 ARG A 78 8.361 0.245 -2.073 1.00 44.23 H new ATOM 0 HG3 ARG A 78 8.578 -0.841 -3.432 1.00 44.23 H new ATOM 0 HD2 ARG A 78 8.261 2.072 -4.059 1.00 14.43 H new ATOM 0 HD3 ARG A 78 9.758 1.586 -3.289 1.00 14.43 H new ATOM 0 HE ARG A 78 9.371 -0.240 -5.391 1.00 21.42 H new ATOM 0 HH11 ARG A 78 9.755 3.245 -4.979 1.00 20.24 H new ATOM 0 HH12 ARG A 78 10.508 3.466 -6.562 1.00 20.24 H new ATOM 0 HH21 ARG A 78 10.343 0.052 -7.421 1.00 42.04 H new ATOM 0 HH22 ARG A 78 10.840 1.667 -7.938 1.00 42.04 H new ATOM 1099 N CYS A 79 6.100 2.871 -1.404 1.00 14.20 N ATOM 1100 CA CYS A 79 5.856 4.308 -1.379 1.00 13.33 C ATOM 1101 C CYS A 79 7.157 5.085 -1.565 1.00 60.42 C ATOM 1102 O CYS A 79 8.232 4.611 -1.196 1.00 61.14 O ATOM 1103 CB CYS A 79 5.194 4.710 -0.060 1.00 75.01 C ATOM 1104 SG CYS A 79 4.694 6.460 0.019 1.00 31.34 S ATOM 0 H CYS A 79 6.749 2.541 -0.690 1.00 14.20 H new ATOM 0 HA CYS A 79 5.187 4.552 -2.204 1.00 13.33 H new ATOM 0 HB2 CYS A 79 4.315 4.085 0.098 1.00 75.01 H new ATOM 0 HB3 CYS A 79 5.884 4.503 0.758 1.00 75.01 H new ATOM 1108 N GLN A 80 7.050 6.278 -2.139 1.00 31.13 N ATOM 1109 CA GLN A 80 8.217 7.120 -2.375 1.00 40.44 C ATOM 1110 C GLN A 80 7.904 8.582 -2.072 1.00 30.52 C ATOM 1111 O GLN A 80 6.870 9.104 -2.486 1.00 4.13 O ATOM 1112 CB GLN A 80 8.693 6.977 -3.821 1.00 31.11 C ATOM 1113 CG GLN A 80 9.777 7.969 -4.207 1.00 32.22 C ATOM 1114 CD GLN A 80 10.293 7.751 -5.615 1.00 54.34 C ATOM 1115 OE1 GLN A 80 10.070 6.700 -6.215 1.00 10.43 O ATOM 1116 NE2 GLN A 80 10.991 8.747 -6.151 1.00 51.34 N ATOM 0 H GLN A 80 6.167 6.684 -2.449 1.00 31.13 H new ATOM 0 HA GLN A 80 9.011 6.791 -1.705 1.00 40.44 H new ATOM 0 HB2 GLN A 80 9.068 5.965 -3.972 1.00 31.11 H new ATOM 0 HB3 GLN A 80 7.841 7.105 -4.489 1.00 31.11 H new ATOM 0 HG2 GLN A 80 9.384 8.982 -4.121 1.00 32.22 H new ATOM 0 HG3 GLN A 80 10.606 7.888 -3.504 1.00 32.22 H new ATOM 0 HE21 GLN A 80 11.152 9.601 -5.618 1.00 51.34 H new ATOM 0 HE22 GLN A 80 11.365 8.657 -7.096 1.00 51.34 H new ATOM 1123 N ALA A 81 8.805 9.237 -1.347 1.00 55.43 N ATOM 1124 CA ALA A 81 8.627 10.639 -0.991 1.00 61.50 C ATOM 1125 C ALA A 81 9.888 11.444 -1.278 1.00 73.24 C ATOM 1126 O ALA A 81 10.967 10.881 -1.462 1.00 32.41 O ATOM 1127 CB ALA A 81 8.239 10.767 0.474 1.00 5.11 C ATOM 0 H ALA A 81 9.666 8.819 -0.995 1.00 55.43 H new ATOM 0 HA ALA A 81 7.823 11.043 -1.605 1.00 61.50 H new ATOM 0 HB1 ALA A 81 8.109 11.820 0.725 1.00 5.11 H new ATOM 0 HB2 ALA A 81 7.305 10.234 0.651 1.00 5.11 H new ATOM 0 HB3 ALA A 81 9.024 10.339 1.097 1.00 5.11 H new ATOM 1133 N MET A 82 9.747 12.766 -1.316 1.00 22.41 N ATOM 1134 CA MET A 82 10.877 13.648 -1.581 1.00 32.15 C ATOM 1135 C MET A 82 10.967 14.747 -0.526 1.00 42.33 C ATOM 1136 O MET A 82 10.008 15.485 -0.302 1.00 51.34 O ATOM 1137 CB MET A 82 10.752 14.270 -2.973 1.00 24.40 C ATOM 1138 CG MET A 82 11.615 13.588 -4.022 1.00 14.23 C ATOM 1139 SD MET A 82 13.370 13.632 -3.612 1.00 54.05 S ATOM 1140 CE MET A 82 13.535 15.307 -3.003 1.00 33.52 C ATOM 0 H MET A 82 8.861 13.249 -1.167 1.00 22.41 H new ATOM 0 HA MET A 82 11.789 13.052 -1.539 1.00 32.15 H new ATOM 0 HB2 MET A 82 9.710 14.228 -3.289 1.00 24.40 H new ATOM 0 HB3 MET A 82 11.026 15.323 -2.917 1.00 24.40 H new ATOM 0 HG2 MET A 82 11.297 12.551 -4.130 1.00 14.23 H new ATOM 0 HG3 MET A 82 11.459 14.072 -4.986 1.00 14.23 H new ATOM 0 HE1 MET A 82 14.342 15.810 -3.536 1.00 33.52 H new ATOM 0 HE2 MET A 82 12.602 15.846 -3.164 1.00 33.52 H new ATOM 0 HE3 MET A 82 13.763 15.286 -1.937 1.00 33.52 H new ATOM 1148 N ASN A 83 12.126 14.850 0.118 1.00 1.13 N ATOM 1149 CA ASN A 83 12.340 15.857 1.150 1.00 75.13 C ATOM 1150 C ASN A 83 12.840 17.163 0.538 1.00 50.52 C ATOM 1151 O ASN A 83 13.188 17.214 -0.641 1.00 53.15 O ATOM 1152 CB ASN A 83 13.343 15.350 2.187 1.00 23.41 C ATOM 1153 CG ASN A 83 13.132 13.888 2.528 1.00 24.04 C ATOM 1154 OD1 ASN A 83 13.914 13.026 2.126 1.00 0.42 O ATOM 1155 ND2 ASN A 83 12.070 13.601 3.274 1.00 50.34 N ATOM 0 H ASN A 83 12.931 14.248 -0.057 1.00 1.13 H new ATOM 0 HA ASN A 83 11.386 16.047 1.641 1.00 75.13 H new ATOM 0 HB2 ASN A 83 14.355 15.489 1.808 1.00 23.41 H new ATOM 0 HB3 ASN A 83 13.257 15.948 3.094 1.00 23.41 H new ATOM 0 HD21 ASN A 83 11.877 12.634 3.535 1.00 50.34 H new ATOM 0 HD22 ASN A 83 11.448 14.348 3.585 1.00 50.34 H new ATOM 1161 N ARG A 84 12.877 18.215 1.349 1.00 23.23 N ATOM 1162 CA ARG A 84 13.333 19.520 0.888 1.00 4.23 C ATOM 1163 C ARG A 84 14.849 19.534 0.712 1.00 63.41 C ATOM 1164 O ARG A 84 15.396 20.398 0.028 1.00 62.44 O ATOM 1165 CB ARG A 84 12.915 20.609 1.878 1.00 61.32 C ATOM 1166 CG ARG A 84 13.526 20.445 3.260 1.00 53.24 C ATOM 1167 CD ARG A 84 13.746 21.788 3.935 1.00 25.43 C ATOM 1168 NE ARG A 84 12.544 22.259 4.622 1.00 51.22 N ATOM 1169 CZ ARG A 84 12.550 23.224 5.534 1.00 12.12 C ATOM 1170 NH1 ARG A 84 13.687 23.820 5.869 1.00 62.43 N ATOM 1171 NH2 ARG A 84 11.417 23.596 6.114 1.00 23.10 N ATOM 0 H ARG A 84 12.596 18.189 2.329 1.00 23.23 H new ATOM 0 HA ARG A 84 12.869 19.719 -0.078 1.00 4.23 H new ATOM 0 HB2 ARG A 84 13.201 21.581 1.477 1.00 61.32 H new ATOM 0 HB3 ARG A 84 11.829 20.608 1.968 1.00 61.32 H new ATOM 0 HG2 ARG A 84 12.872 19.829 3.877 1.00 53.24 H new ATOM 0 HG3 ARG A 84 14.476 19.918 3.178 1.00 53.24 H new ATOM 0 HD2 ARG A 84 14.564 21.704 4.651 1.00 25.43 H new ATOM 0 HD3 ARG A 84 14.049 22.523 3.190 1.00 25.43 H new ATOM 0 HE ARG A 84 11.652 21.822 4.388 1.00 51.22 H new ATOM 0 HH11 ARG A 84 14.561 23.537 5.425 1.00 62.43 H new ATOM 0 HH12 ARG A 84 13.687 24.561 6.570 1.00 62.43 H new ATOM 0 HH21 ARG A 84 10.540 23.141 5.860 1.00 23.10 H new ATOM 0 HH22 ARG A 84 11.422 24.337 6.815 1.00 23.10 H new ATOM 1182 N ASN A 85 15.520 18.571 1.333 1.00 4.12 N ATOM 1183 CA ASN A 85 16.974 18.472 1.245 1.00 24.11 C ATOM 1184 C ASN A 85 17.402 17.981 -0.134 1.00 10.23 C ATOM 1185 O ASN A 85 18.547 18.173 -0.545 1.00 11.15 O ATOM 1186 CB ASN A 85 17.508 17.528 2.323 1.00 43.10 C ATOM 1187 CG ASN A 85 17.039 17.913 3.713 1.00 11.25 C ATOM 1188 OD1 ASN A 85 17.704 18.675 4.417 1.00 21.14 O ATOM 1189 ND2 ASN A 85 15.888 17.387 4.117 1.00 60.44 N ATOM 0 H ASN A 85 15.082 17.847 1.903 1.00 4.12 H new ATOM 0 HA ASN A 85 17.392 19.466 1.404 1.00 24.11 H new ATOM 0 HB2 ASN A 85 17.186 16.510 2.103 1.00 43.10 H new ATOM 0 HB3 ASN A 85 18.598 17.530 2.297 1.00 43.10 H new ATOM 0 HD21 ASN A 85 15.523 17.610 5.043 1.00 60.44 H new ATOM 0 HD22 ASN A 85 15.370 16.760 3.501 1.00 60.44 H new ATOM 1195 N GLY A 86 16.475 17.348 -0.846 1.00 14.00 N ATOM 1196 CA GLY A 86 16.777 16.841 -2.171 1.00 61.52 C ATOM 1197 C GLY A 86 16.771 15.326 -2.228 1.00 52.42 C ATOM 1198 O GLY A 86 16.644 14.737 -3.301 1.00 73.22 O ATOM 0 H GLY A 86 15.521 17.177 -0.529 1.00 14.00 H new ATOM 0 HA2 GLY A 86 16.047 17.231 -2.881 1.00 61.52 H new ATOM 0 HA3 GLY A 86 17.754 17.209 -2.483 1.00 61.52 H new ATOM 1202 N LYS A 87 16.912 14.692 -1.069 1.00 24.21 N ATOM 1203 CA LYS A 87 16.922 13.236 -0.988 1.00 71.23 C ATOM 1204 C LYS A 87 15.502 12.685 -0.917 1.00 44.41 C ATOM 1205 O LYS A 87 14.606 13.322 -0.364 1.00 2.15 O ATOM 1206 CB LYS A 87 17.720 12.778 0.235 1.00 34.55 C ATOM 1207 CG LYS A 87 17.191 13.330 1.547 1.00 11.55 C ATOM 1208 CD LYS A 87 18.317 13.602 2.532 1.00 74.24 C ATOM 1209 CE LYS A 87 19.255 14.684 2.019 1.00 72.45 C ATOM 1210 NZ LYS A 87 20.678 14.244 2.051 1.00 50.01 N ATOM 0 H LYS A 87 17.021 15.164 -0.172 1.00 24.21 H new ATOM 0 HA LYS A 87 17.398 12.850 -1.890 1.00 71.23 H new ATOM 0 HB2 LYS A 87 17.710 11.689 0.278 1.00 34.55 H new ATOM 0 HB3 LYS A 87 18.760 13.083 0.115 1.00 34.55 H new ATOM 0 HG2 LYS A 87 16.640 14.252 1.359 1.00 11.55 H new ATOM 0 HG3 LYS A 87 16.487 12.621 1.984 1.00 11.55 H new ATOM 0 HD2 LYS A 87 17.898 13.907 3.491 1.00 74.24 H new ATOM 0 HD3 LYS A 87 18.879 12.684 2.707 1.00 74.24 H new ATOM 0 HE2 LYS A 87 18.980 14.950 0.998 1.00 72.45 H new ATOM 0 HE3 LYS A 87 19.139 15.583 2.625 1.00 72.45 H new ATOM 0 HZ1 LYS A 87 21.286 15.009 1.694 1.00 50.01 H new ATOM 0 HZ2 LYS A 87 20.949 14.015 3.029 1.00 50.01 H new ATOM 0 HZ3 LYS A 87 20.794 13.401 1.453 1.00 50.01 H new ATOM 1220 N GLU A 88 15.304 11.497 -1.481 1.00 71.15 N ATOM 1221 CA GLU A 88 13.992 10.860 -1.481 1.00 34.20 C ATOM 1222 C GLU A 88 13.932 9.740 -0.448 1.00 63.44 C ATOM 1223 O GLU A 88 14.920 9.044 -0.209 1.00 64.32 O ATOM 1224 CB GLU A 88 13.669 10.307 -2.870 1.00 5.02 C ATOM 1225 CG GLU A 88 14.226 8.915 -3.115 1.00 22.44 C ATOM 1226 CD GLU A 88 14.198 8.525 -4.581 1.00 24.43 C ATOM 1227 OE1 GLU A 88 14.598 9.355 -5.422 1.00 55.40 O ATOM 1228 OE2 GLU A 88 13.775 7.390 -4.884 1.00 63.23 O ATOM 0 H GLU A 88 16.035 10.957 -1.943 1.00 71.15 H new ATOM 0 HA GLU A 88 13.250 11.614 -1.217 1.00 34.20 H new ATOM 0 HB2 GLU A 88 12.587 10.284 -3.000 1.00 5.02 H new ATOM 0 HB3 GLU A 88 14.067 10.986 -3.624 1.00 5.02 H new ATOM 0 HG2 GLU A 88 15.252 8.869 -2.750 1.00 22.44 H new ATOM 0 HG3 GLU A 88 13.650 8.191 -2.539 1.00 22.44 H new ATOM 1233 N THR A 89 12.764 9.568 0.165 1.00 30.21 N ATOM 1234 CA THR A 89 12.574 8.535 1.174 1.00 23.02 C ATOM 1235 C THR A 89 11.920 7.295 0.573 1.00 1.33 C ATOM 1236 O THR A 89 10.927 7.391 -0.148 1.00 71.34 O ATOM 1237 CB THR A 89 11.708 9.042 2.342 1.00 2.22 C ATOM 1238 OG1 THR A 89 11.300 10.392 2.099 1.00 0.33 O ATOM 1239 CG2 THR A 89 12.474 8.966 3.655 1.00 30.54 C ATOM 0 H THR A 89 11.935 10.132 -0.021 1.00 30.21 H new ATOM 0 HA THR A 89 13.563 8.276 1.551 1.00 23.02 H new ATOM 0 HB THR A 89 10.827 8.405 2.416 1.00 2.22 H new ATOM 0 HG1 THR A 89 12.032 11.001 2.328 1.00 0.33 H new ATOM 0 HG21 THR A 89 11.843 9.329 4.466 1.00 30.54 H new ATOM 0 HG22 THR A 89 12.758 7.932 3.851 1.00 30.54 H new ATOM 0 HG23 THR A 89 13.371 9.582 3.589 1.00 30.54 H new ATOM 1247 N LYS A 90 12.483 6.130 0.876 1.00 71.33 N ATOM 1248 CA LYS A 90 11.955 4.870 0.368 1.00 64.43 C ATOM 1249 C LYS A 90 11.169 4.134 1.450 1.00 42.43 C ATOM 1250 O LYS A 90 11.569 4.111 2.613 1.00 31.13 O ATOM 1251 CB LYS A 90 13.093 3.983 -0.143 1.00 31.23 C ATOM 1252 CG LYS A 90 13.780 3.184 0.952 1.00 32.15 C ATOM 1253 CD LYS A 90 13.142 1.817 1.128 1.00 60.44 C ATOM 1254 CE LYS A 90 13.174 1.017 -0.166 1.00 62.42 C ATOM 1255 NZ LYS A 90 14.511 1.071 -0.819 1.00 10.43 N ATOM 0 H LYS A 90 13.306 6.033 1.471 1.00 71.33 H new ATOM 0 HA LYS A 90 11.280 5.095 -0.458 1.00 64.43 H new ATOM 0 HB2 LYS A 90 12.698 3.295 -0.890 1.00 31.23 H new ATOM 0 HB3 LYS A 90 13.833 4.608 -0.644 1.00 31.23 H new ATOM 0 HG2 LYS A 90 14.836 3.065 0.709 1.00 32.15 H new ATOM 0 HG3 LYS A 90 13.729 3.734 1.892 1.00 32.15 H new ATOM 0 HD2 LYS A 90 13.666 1.267 1.910 1.00 60.44 H new ATOM 0 HD3 LYS A 90 12.110 1.936 1.459 1.00 60.44 H new ATOM 0 HE2 LYS A 90 12.913 -0.021 0.042 1.00 62.42 H new ATOM 0 HE3 LYS A 90 12.420 1.404 -0.851 1.00 62.42 H new ATOM 0 HZ1 LYS A 90 14.574 0.327 -1.543 1.00 10.43 H new ATOM 0 HZ2 LYS A 90 14.642 2.001 -1.266 1.00 10.43 H new ATOM 0 HZ3 LYS A 90 15.252 0.923 -0.105 1.00 10.43 H new ATOM 1265 N SER A 91 10.051 3.532 1.057 1.00 53.34 N ATOM 1266 CA SER A 91 9.210 2.796 1.993 1.00 53.03 C ATOM 1267 C SER A 91 8.547 1.605 1.308 1.00 33.23 C ATOM 1268 O SER A 91 7.809 1.766 0.336 1.00 5.32 O ATOM 1269 CB SER A 91 8.141 3.719 2.583 1.00 44.42 C ATOM 1270 OG SER A 91 8.732 4.792 3.297 1.00 63.44 O ATOM 0 H SER A 91 9.707 3.540 0.097 1.00 53.34 H new ATOM 0 HA SER A 91 9.844 2.423 2.797 1.00 53.03 H new ATOM 0 HB2 SER A 91 7.514 4.112 1.783 1.00 44.42 H new ATOM 0 HB3 SER A 91 7.491 3.150 3.248 1.00 44.42 H new ATOM 0 HG SER A 91 8.489 5.641 2.872 1.00 63.44 H new ATOM 1275 N ASN A 92 8.816 0.409 1.822 1.00 30.03 N ATOM 1276 CA ASN A 92 8.248 -0.810 1.261 1.00 30.45 C ATOM 1277 C ASN A 92 7.602 -1.661 2.350 1.00 0.32 C ATOM 1278 O ASN A 92 8.252 -2.034 3.328 1.00 44.05 O ATOM 1279 CB ASN A 92 9.330 -1.617 0.541 1.00 64.51 C ATOM 1280 CG ASN A 92 8.937 -1.970 -0.881 1.00 53.20 C ATOM 1281 OD1 ASN A 92 9.756 -1.893 -1.799 1.00 31.43 O ATOM 1282 ND2 ASN A 92 7.682 -2.359 -1.069 1.00 43.53 N ATOM 0 H ASN A 92 9.424 0.259 2.627 1.00 30.03 H new ATOM 0 HA ASN A 92 7.478 -0.526 0.543 1.00 30.45 H new ATOM 0 HB2 ASN A 92 10.258 -1.045 0.527 1.00 64.51 H new ATOM 0 HB3 ASN A 92 9.528 -2.533 1.098 1.00 64.51 H new ATOM 0 HD21 ASN A 92 7.360 -2.609 -2.004 1.00 43.53 H new ATOM 0 HD22 ASN A 92 7.039 -2.408 -0.278 1.00 43.53 H new ATOM 1288 N TYR A 93 6.321 -1.964 2.175 1.00 14.15 N ATOM 1289 CA TYR A 93 5.586 -2.769 3.145 1.00 73.42 C ATOM 1290 C TYR A 93 4.844 -3.908 2.453 1.00 5.03 C ATOM 1291 O TYR A 93 3.998 -3.680 1.589 1.00 14.22 O ATOM 1292 CB TYR A 93 4.598 -1.896 3.920 1.00 61.55 C ATOM 1293 CG TYR A 93 5.240 -1.084 5.020 1.00 31.12 C ATOM 1294 CD1 TYR A 93 6.172 -0.096 4.728 1.00 71.02 C ATOM 1295 CD2 TYR A 93 4.913 -1.302 6.352 1.00 1.41 C ATOM 1296 CE1 TYR A 93 6.762 0.648 5.731 1.00 13.33 C ATOM 1297 CE2 TYR A 93 5.497 -0.562 7.362 1.00 2.44 C ATOM 1298 CZ TYR A 93 6.421 0.412 7.046 1.00 45.24 C ATOM 1299 OH TYR A 93 7.006 1.153 8.048 1.00 54.35 O ATOM 0 H TYR A 93 5.769 -1.665 1.371 1.00 14.15 H new ATOM 0 HA TYR A 93 6.304 -3.198 3.844 1.00 73.42 H new ATOM 0 HB2 TYR A 93 4.101 -1.220 3.224 1.00 61.55 H new ATOM 0 HB3 TYR A 93 3.826 -2.532 4.353 1.00 61.55 H new ATOM 0 HD1 TYR A 93 6.440 0.094 3.699 1.00 71.02 H new ATOM 0 HD2 TYR A 93 4.189 -2.063 6.603 1.00 1.41 H new ATOM 0 HE1 TYR A 93 7.487 1.411 5.487 1.00 13.33 H new ATOM 0 HE2 TYR A 93 5.232 -0.745 8.393 1.00 2.44 H new ATOM 0 HH TYR A 93 6.312 1.623 8.555 1.00 54.35 H new ATOM 1308 N ARG A 94 5.166 -5.138 2.844 1.00 73.24 N ATOM 1309 CA ARG A 94 4.531 -6.314 2.263 1.00 74.05 C ATOM 1310 C ARG A 94 3.265 -6.684 3.030 1.00 2.45 C ATOM 1311 O ARG A 94 3.249 -6.680 4.262 1.00 53.01 O ATOM 1312 CB ARG A 94 5.503 -7.496 2.261 1.00 1.22 C ATOM 1313 CG ARG A 94 6.318 -7.616 3.538 1.00 13.11 C ATOM 1314 CD ARG A 94 7.749 -7.142 3.331 1.00 12.31 C ATOM 1315 NE ARG A 94 7.806 -5.872 2.614 1.00 1.04 N ATOM 1316 CZ ARG A 94 8.106 -5.768 1.324 1.00 63.42 C ATOM 1317 NH1 ARG A 94 8.371 -6.855 0.613 1.00 65.23 N ATOM 1318 NH2 ARG A 94 8.137 -4.577 0.742 1.00 55.14 N ATOM 0 H ARG A 94 5.862 -5.345 3.560 1.00 73.24 H new ATOM 0 HA ARG A 94 4.256 -6.077 1.235 1.00 74.05 H new ATOM 0 HB2 ARG A 94 4.941 -8.418 2.111 1.00 1.22 H new ATOM 0 HB3 ARG A 94 6.182 -7.396 1.414 1.00 1.22 H new ATOM 0 HG2 ARG A 94 5.849 -7.028 4.327 1.00 13.11 H new ATOM 0 HG3 ARG A 94 6.322 -8.653 3.873 1.00 13.11 H new ATOM 0 HD2 ARG A 94 8.239 -7.034 4.299 1.00 12.31 H new ATOM 0 HD3 ARG A 94 8.304 -7.897 2.775 1.00 12.31 H new ATOM 0 HE ARG A 94 7.604 -5.017 3.132 1.00 1.04 H new ATOM 0 HH11 ARG A 94 8.345 -7.773 1.056 1.00 65.23 H new ATOM 0 HH12 ARG A 94 8.601 -6.773 -0.377 1.00 65.23 H new ATOM 0 HH21 ARG A 94 7.930 -3.739 1.285 1.00 55.14 H new ATOM 0 HH22 ARG A 94 8.368 -4.499 -0.249 1.00 55.14 H new ATOM 1329 N VAL A 95 2.205 -7.003 2.295 1.00 23.35 N ATOM 1330 CA VAL A 95 0.935 -7.376 2.907 1.00 34.32 C ATOM 1331 C VAL A 95 0.515 -8.781 2.489 1.00 42.41 C ATOM 1332 O VAL A 95 0.636 -9.155 1.322 1.00 23.24 O ATOM 1333 CB VAL A 95 -0.183 -6.384 2.528 1.00 12.51 C ATOM 1334 CG1 VAL A 95 -1.527 -6.873 3.046 1.00 70.14 C ATOM 1335 CG2 VAL A 95 0.133 -4.996 3.064 1.00 50.12 C ATOM 0 H VAL A 95 2.200 -7.011 1.275 1.00 23.35 H new ATOM 0 HA VAL A 95 1.084 -7.350 3.986 1.00 34.32 H new ATOM 0 HB VAL A 95 -0.240 -6.323 1.441 1.00 12.51 H new ATOM 0 HG11 VAL A 95 -2.304 -6.161 2.770 1.00 70.14 H new ATOM 0 HG12 VAL A 95 -1.754 -7.845 2.609 1.00 70.14 H new ATOM 0 HG13 VAL A 95 -1.487 -6.964 4.132 1.00 70.14 H new ATOM 0 HG21 VAL A 95 -0.666 -4.308 2.787 1.00 50.12 H new ATOM 0 HG22 VAL A 95 0.218 -5.036 4.150 1.00 50.12 H new ATOM 0 HG23 VAL A 95 1.074 -4.648 2.639 1.00 50.12 H new ATOM 1345 N ARG A 96 0.021 -9.554 3.449 1.00 5.14 N ATOM 1346 CA ARG A 96 -0.417 -10.919 3.183 1.00 50.45 C ATOM 1347 C ARG A 96 -1.831 -11.150 3.708 1.00 71.23 C ATOM 1348 O ARG A 96 -2.226 -10.581 4.725 1.00 22.00 O ATOM 1349 CB ARG A 96 0.547 -11.920 3.824 1.00 61.34 C ATOM 1350 CG ARG A 96 1.305 -12.767 2.814 1.00 22.11 C ATOM 1351 CD ARG A 96 0.438 -13.887 2.262 1.00 22.21 C ATOM 1352 NE ARG A 96 0.134 -14.894 3.276 1.00 74.52 N ATOM 1353 CZ ARG A 96 1.024 -15.765 3.736 1.00 55.24 C ATOM 1354 NH1 ARG A 96 2.268 -15.752 3.277 1.00 51.15 N ATOM 1355 NH2 ARG A 96 0.672 -16.651 4.658 1.00 14.13 N ATOM 0 H ARG A 96 -0.086 -9.259 4.419 1.00 5.14 H new ATOM 0 HA ARG A 96 -0.421 -11.068 2.103 1.00 50.45 H new ATOM 0 HB2 ARG A 96 1.263 -11.378 4.441 1.00 61.34 H new ATOM 0 HB3 ARG A 96 -0.014 -12.577 4.489 1.00 61.34 H new ATOM 0 HG2 ARG A 96 1.651 -12.136 1.995 1.00 22.11 H new ATOM 0 HG3 ARG A 96 2.192 -13.191 3.286 1.00 22.11 H new ATOM 0 HD2 ARG A 96 -0.492 -13.469 1.876 1.00 22.21 H new ATOM 0 HD3 ARG A 96 0.948 -14.360 1.423 1.00 22.21 H new ATOM 0 HE ARG A 96 -0.814 -14.930 3.651 1.00 74.52 H new ATOM 0 HH11 ARG A 96 2.543 -15.072 2.569 1.00 51.15 H new ATOM 0 HH12 ARG A 96 2.950 -16.422 3.632 1.00 51.15 H new ATOM 0 HH21 ARG A 96 -0.284 -16.664 5.015 1.00 14.13 H new ATOM 0 HH22 ARG A 96 1.357 -17.320 5.011 1.00 14.13 H new ATOM 1366 N VAL A 97 -2.587 -11.988 3.006 1.00 32.32 N ATOM 1367 CA VAL A 97 -3.957 -12.294 3.402 1.00 61.51 C ATOM 1368 C VAL A 97 -4.061 -13.702 3.976 1.00 4.24 C ATOM 1369 O VAL A 97 -3.058 -14.400 4.123 1.00 15.22 O ATOM 1370 CB VAL A 97 -4.927 -12.164 2.212 1.00 30.42 C ATOM 1371 CG1 VAL A 97 -4.778 -10.804 1.546 1.00 63.12 C ATOM 1372 CG2 VAL A 97 -4.695 -13.285 1.209 1.00 12.52 C ATOM 0 H VAL A 97 -2.275 -12.467 2.161 1.00 32.32 H new ATOM 0 HA VAL A 97 -4.234 -11.571 4.169 1.00 61.51 H new ATOM 0 HB VAL A 97 -5.947 -12.248 2.588 1.00 30.42 H new ATOM 0 HG11 VAL A 97 -5.471 -10.731 0.708 1.00 63.12 H new ATOM 0 HG12 VAL A 97 -4.999 -10.019 2.269 1.00 63.12 H new ATOM 0 HG13 VAL A 97 -3.757 -10.686 1.183 1.00 63.12 H new ATOM 0 HG21 VAL A 97 -5.389 -13.177 0.375 1.00 12.52 H new ATOM 0 HG22 VAL A 97 -3.671 -13.235 0.838 1.00 12.52 H new ATOM 0 HG23 VAL A 97 -4.858 -14.247 1.694 1.00 12.52 H new ATOM 1382 N TYR A 98 -5.282 -14.114 4.299 1.00 14.41 N ATOM 1383 CA TYR A 98 -5.517 -15.439 4.860 1.00 25.40 C ATOM 1384 C TYR A 98 -5.242 -16.525 3.825 1.00 5.31 C ATOM 1385 O TYR A 98 -4.199 -17.178 3.859 1.00 63.43 O ATOM 1386 CB TYR A 98 -6.958 -15.553 5.365 1.00 32.13 C ATOM 1387 CG TYR A 98 -7.302 -16.922 5.907 1.00 65.20 C ATOM 1388 CD1 TYR A 98 -6.495 -17.540 6.855 1.00 42.21 C ATOM 1389 CD2 TYR A 98 -8.435 -17.599 5.470 1.00 31.44 C ATOM 1390 CE1 TYR A 98 -6.806 -18.790 7.352 1.00 64.03 C ATOM 1391 CE2 TYR A 98 -8.754 -18.849 5.964 1.00 21.01 C ATOM 1392 CZ TYR A 98 -7.937 -19.441 6.903 1.00 24.31 C ATOM 1393 OH TYR A 98 -8.251 -20.686 7.397 1.00 44.01 O ATOM 0 H TYR A 98 -6.124 -13.550 4.182 1.00 14.41 H new ATOM 0 HA TYR A 98 -4.833 -15.579 5.697 1.00 25.40 H new ATOM 0 HB2 TYR A 98 -7.120 -14.811 6.146 1.00 32.13 H new ATOM 0 HB3 TYR A 98 -7.640 -15.312 4.550 1.00 32.13 H new ATOM 0 HD1 TYR A 98 -5.609 -17.034 7.209 1.00 42.21 H new ATOM 0 HD2 TYR A 98 -9.076 -17.140 4.732 1.00 31.44 H new ATOM 0 HE1 TYR A 98 -6.168 -19.256 8.088 1.00 64.03 H new ATOM 0 HE2 TYR A 98 -9.640 -19.360 5.616 1.00 21.01 H new ATOM 0 HH TYR A 98 -9.078 -21.005 6.979 1.00 44.01 H new ATOM 1402 N GLN A 99 -6.186 -16.714 2.908 1.00 14.34 N ATOM 1403 CA GLN A 99 -6.045 -17.720 1.863 1.00 42.21 C ATOM 1404 C GLN A 99 -4.877 -17.388 0.940 1.00 64.22 C ATOM 1405 O GLN A 99 -4.609 -16.219 0.660 1.00 64.20 O ATOM 1406 CB GLN A 99 -7.338 -17.828 1.053 1.00 61.20 C ATOM 1407 CG GLN A 99 -8.035 -19.171 1.193 1.00 51.33 C ATOM 1408 CD GLN A 99 -8.411 -19.486 2.628 1.00 71.21 C ATOM 1409 OE1 GLN A 99 -9.454 -19.051 3.117 1.00 61.41 O ATOM 1410 NE2 GLN A 99 -7.562 -20.243 3.312 1.00 72.34 N ATOM 0 H GLN A 99 -7.056 -16.183 2.868 1.00 14.34 H new ATOM 0 HA GLN A 99 -5.843 -18.679 2.341 1.00 42.21 H new ATOM 0 HB2 GLN A 99 -8.021 -17.039 1.368 1.00 61.20 H new ATOM 0 HB3 GLN A 99 -7.113 -17.653 0.001 1.00 61.20 H new ATOM 0 HG2 GLN A 99 -8.934 -19.176 0.576 1.00 51.33 H new ATOM 0 HG3 GLN A 99 -7.383 -19.956 0.811 1.00 51.33 H new ATOM 0 HE21 GLN A 99 -6.709 -20.582 2.867 1.00 72.34 H new ATOM 0 HE22 GLN A 99 -7.763 -20.486 4.282 1.00 72.34 H new ATOM 1417 N ILE A 100 -4.188 -18.421 0.472 1.00 50.23 N ATOM 1418 CA ILE A 100 -3.049 -18.239 -0.421 1.00 23.35 C ATOM 1419 C ILE A 100 -3.268 -18.960 -1.747 1.00 21.24 C ATOM 1420 O ILE A 100 -4.091 -19.868 -1.859 1.00 10.32 O ATOM 1421 CB ILE A 100 -1.745 -18.749 0.220 1.00 53.15 C ATOM 1422 CG1 ILE A 100 -2.055 -19.736 1.347 1.00 21.14 C ATOM 1423 CG2 ILE A 100 -0.919 -17.582 0.742 1.00 61.35 C ATOM 1424 CD1 ILE A 100 -0.823 -20.378 1.945 1.00 4.15 C ATOM 0 H ILE A 100 -4.397 -19.394 0.696 1.00 50.23 H new ATOM 0 HA ILE A 100 -2.960 -17.168 -0.604 1.00 23.35 H new ATOM 0 HB ILE A 100 -1.163 -19.269 -0.541 1.00 53.15 H new ATOM 0 HG12 ILE A 100 -2.602 -19.216 2.134 1.00 21.14 H new ATOM 0 HG13 ILE A 100 -2.712 -20.517 0.964 1.00 21.14 H new ATOM 0 HG21 ILE A 100 -0.001 -17.959 1.192 1.00 61.35 H new ATOM 0 HG22 ILE A 100 -0.671 -16.914 -0.083 1.00 61.35 H new ATOM 0 HG23 ILE A 100 -1.493 -17.036 1.491 1.00 61.35 H new ATOM 0 HD11 ILE A 100 -1.119 -21.065 2.737 1.00 4.15 H new ATOM 0 HD12 ILE A 100 -0.286 -20.926 1.171 1.00 4.15 H new ATOM 0 HD13 ILE A 100 -0.174 -19.606 2.358 1.00 4.15 H new ATOM 1435 N PRO A 101 -2.513 -18.550 -2.776 1.00 12.25 N ATOM 1436 CA PRO A 101 -2.604 -19.145 -4.112 1.00 13.40 C ATOM 1437 C PRO A 101 -2.057 -20.567 -4.152 1.00 41.11 C ATOM 1438 O PRO A 101 -0.884 -20.800 -3.858 1.00 73.52 O ATOM 1439 CB PRO A 101 -1.743 -18.217 -4.973 1.00 73.11 C ATOM 1440 CG PRO A 101 -0.777 -17.603 -4.020 1.00 54.33 C ATOM 1441 CD PRO A 101 -1.510 -17.471 -2.713 1.00 42.33 C ATOM 0 HA PRO A 101 -3.637 -19.228 -4.451 1.00 13.40 H new ATOM 0 HB2 PRO A 101 -1.227 -18.771 -5.758 1.00 73.11 H new ATOM 0 HB3 PRO A 101 -2.350 -17.457 -5.465 1.00 73.11 H new ATOM 0 HG2 PRO A 101 0.110 -18.226 -3.908 1.00 54.33 H new ATOM 0 HG3 PRO A 101 -0.440 -16.630 -4.378 1.00 54.33 H new ATOM 0 HD2 PRO A 101 -0.840 -17.594 -1.862 1.00 42.33 H new ATOM 0 HD3 PRO A 101 -1.978 -16.492 -2.611 1.00 42.33 H new