USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 65 GLN : amide:sc= -0.709 K(o=-2,f=-4.4!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -1.26 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 123:sc= 0.483 USER MOD Single : A 6 SER OG : rot -67:sc= 0.508 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= 0.0782 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-8.2!) USER MOD Single : A 38 SER OG : rot 73:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 15:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 103:sc= 0.0804 USER MOD Single : A 59 GLN : amide:sc=-2.4e-06 X(o=-2.4e-06,f=-0.047) USER MOD Single : A 63 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.25) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.415 K(o=-0.42,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.208 USER MOD Single : A 89 HIS : +bothHN:sc= -0.703! C(o=-0.7!,f=-4.8!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= -0.527 (180deg=-0.604) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0194 K(o=-0.019,f=-2.2) USER MOD Single : A 109 ASN : amide:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -56:sc= 0.998 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 122 THR OG1 : rot -25:sc= 0.901 USER MOD Single : A 124 ASN : amide:sc= 0.391 K(o=0.39,f=-5!) USER MOD Single : A 125 ASN : amide:sc= -0.0859 K(o=-0.086,f=-2.1!) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 127 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.8!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.27) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 2.568 0.598 -2.850 1.00 13.00 N ATOM 2 CA GLY A 2 3.002 1.945 -3.171 1.00 45.03 C ATOM 3 C GLY A 2 2.360 2.475 -4.438 1.00 30.24 C ATOM 4 O GLY A 2 1.284 3.070 -4.395 1.00 21.44 O ATOM 0 HA2 GLY A 2 2.761 2.609 -2.340 1.00 45.03 H new ATOM 0 HA3 GLY A 2 4.086 1.957 -3.284 1.00 45.03 H new ATOM 8 N ALA A 3 3.021 2.259 -5.571 1.00 52.32 N ATOM 9 CA ALA A 3 2.509 2.718 -6.855 1.00 74.40 C ATOM 10 C ALA A 3 2.557 1.603 -7.895 1.00 62.05 C ATOM 11 O ALA A 3 1.524 1.184 -8.418 1.00 50.31 O ATOM 12 CB ALA A 3 3.297 3.927 -7.337 1.00 34.43 C ATOM 0 H ALA A 3 3.914 1.768 -5.625 1.00 52.32 H new ATOM 0 HA ALA A 3 1.467 3.009 -6.720 1.00 74.40 H new ATOM 0 HB1 ALA A 3 2.903 4.259 -8.298 1.00 34.43 H new ATOM 0 HB2 ALA A 3 3.207 4.734 -6.610 1.00 34.43 H new ATOM 0 HB3 ALA A 3 4.347 3.656 -7.450 1.00 34.43 H new ATOM 18 N ARG A 4 3.763 1.129 -8.192 1.00 75.15 N ATOM 19 CA ARG A 4 3.944 0.065 -9.172 1.00 51.50 C ATOM 20 C ARG A 4 4.795 -1.063 -8.596 1.00 5.21 C ATOM 21 O ARG A 4 5.600 -0.848 -7.690 1.00 11.41 O ATOM 22 CB ARG A 4 4.600 0.616 -10.439 1.00 52.21 C ATOM 23 CG ARG A 4 3.988 0.080 -11.723 1.00 42.33 C ATOM 24 CD ARG A 4 2.770 0.890 -12.140 1.00 0.02 C ATOM 25 NE ARG A 4 3.125 1.993 -13.028 1.00 64.14 N ATOM 26 CZ ARG A 4 2.239 2.667 -13.754 1.00 35.25 C ATOM 27 NH1 ARG A 4 0.953 2.350 -13.698 1.00 14.34 N1+ ATOM 28 NH2 ARG A 4 2.639 3.659 -14.538 1.00 25.31 N ATOM 0 H ARG A 4 4.628 1.465 -7.768 1.00 75.15 H new ATOM 0 HA ARG A 4 2.962 -0.335 -9.424 1.00 51.50 H new ATOM 0 HB2 ARG A 4 4.522 1.703 -10.435 1.00 52.21 H new ATOM 0 HB3 ARG A 4 5.662 0.373 -10.423 1.00 52.21 H new ATOM 0 HG2 ARG A 4 4.732 0.103 -12.519 1.00 42.33 H new ATOM 0 HG3 ARG A 4 3.703 -0.963 -11.584 1.00 42.33 H new ATOM 0 HD2 ARG A 4 2.055 0.237 -12.640 1.00 0.02 H new ATOM 0 HD3 ARG A 4 2.275 1.284 -11.252 1.00 0.02 H new ATOM 0 HE ARG A 4 4.107 2.261 -13.095 1.00 64.14 H new ATOM 0 HH11 ARG A 4 0.641 1.587 -13.097 1.00 14.34 H new ATOM 0 HH12 ARG A 4 0.275 2.869 -14.256 1.00 14.34 H new ATOM 0 HH21 ARG A 4 3.628 3.905 -14.584 1.00 25.31 H new ATOM 0 HH22 ARG A 4 1.958 4.175 -15.095 1.00 25.31 H new ATOM 42 N ALA A 5 4.612 -2.267 -9.129 1.00 21.02 N ATOM 43 CA ALA A 5 5.363 -3.428 -8.670 1.00 3.32 C ATOM 44 C ALA A 5 6.814 -3.362 -9.132 1.00 44.24 C ATOM 45 O ALA A 5 7.099 -3.430 -10.329 1.00 14.50 O ATOM 46 CB ALA A 5 4.708 -4.710 -9.164 1.00 64.15 C ATOM 0 H ALA A 5 3.950 -2.463 -9.879 1.00 21.02 H new ATOM 0 HA ALA A 5 5.356 -3.426 -7.580 1.00 3.32 H new ATOM 0 HB1 ALA A 5 5.280 -5.569 -8.814 1.00 64.15 H new ATOM 0 HB2 ALA A 5 3.690 -4.770 -8.779 1.00 64.15 H new ATOM 0 HB3 ALA A 5 4.684 -4.710 -10.254 1.00 64.15 H new ATOM 52 N SER A 6 7.730 -3.226 -8.178 1.00 74.14 N ATOM 53 CA SER A 6 9.152 -3.145 -8.488 1.00 23.32 C ATOM 54 C SER A 6 9.857 -4.456 -8.156 1.00 14.24 C ATOM 55 O SER A 6 10.739 -4.501 -7.297 1.00 24.41 O ATOM 56 CB SER A 6 9.799 -1.994 -7.715 1.00 11.52 C ATOM 57 OG SER A 6 11.197 -1.947 -7.946 1.00 20.55 O ATOM 0 H SER A 6 7.512 -3.170 -7.183 1.00 74.14 H new ATOM 0 HA SER A 6 9.255 -2.959 -9.557 1.00 23.32 H new ATOM 0 HB2 SER A 6 9.346 -1.050 -8.016 1.00 11.52 H new ATOM 0 HB3 SER A 6 9.607 -2.115 -6.649 1.00 11.52 H new ATOM 0 HG SER A 6 11.620 -2.738 -7.553 1.00 20.55 H new ATOM 63 N VAL A 7 9.460 -5.525 -8.840 1.00 65.30 N ATOM 64 CA VAL A 7 10.053 -6.838 -8.619 1.00 60.04 C ATOM 65 C VAL A 7 11.438 -6.929 -9.249 1.00 42.44 C ATOM 66 O VAL A 7 12.403 -7.333 -8.597 1.00 64.23 O ATOM 67 CB VAL A 7 9.166 -7.958 -9.194 1.00 63.50 C ATOM 68 CG1 VAL A 7 9.816 -9.317 -8.981 1.00 64.33 C ATOM 69 CG2 VAL A 7 7.781 -7.916 -8.567 1.00 44.43 C ATOM 0 H VAL A 7 8.730 -5.507 -9.552 1.00 65.30 H new ATOM 0 HA VAL A 7 10.138 -6.969 -7.540 1.00 60.04 H new ATOM 0 HB VAL A 7 9.059 -7.798 -10.267 1.00 63.50 H new ATOM 0 HG11 VAL A 7 9.175 -10.096 -9.394 1.00 64.33 H new ATOM 0 HG12 VAL A 7 10.784 -9.340 -9.482 1.00 64.33 H new ATOM 0 HG13 VAL A 7 9.956 -9.490 -7.914 1.00 64.33 H new ATOM 0 HG21 VAL A 7 7.168 -8.714 -8.985 1.00 44.43 H new ATOM 0 HG22 VAL A 7 7.866 -8.050 -7.489 1.00 44.43 H new ATOM 0 HG23 VAL A 7 7.315 -6.953 -8.777 1.00 44.43 H new ATOM 79 N LEU A 8 11.532 -6.548 -10.519 1.00 14.40 N ATOM 80 CA LEU A 8 12.801 -6.586 -11.237 1.00 72.11 C ATOM 81 C LEU A 8 13.078 -5.252 -11.922 1.00 63.44 C ATOM 82 O LEU A 8 12.221 -4.715 -12.627 1.00 43.40 O ATOM 83 CB LEU A 8 12.790 -7.712 -12.272 1.00 42.54 C ATOM 84 CG LEU A 8 12.684 -9.132 -11.716 1.00 2.25 C ATOM 85 CD1 LEU A 8 12.446 -10.129 -12.841 1.00 63.42 C ATOM 86 CD2 LEU A 8 13.939 -9.496 -10.937 1.00 1.35 C ATOM 0 H LEU A 8 10.745 -6.209 -11.072 1.00 14.40 H new ATOM 0 HA LEU A 8 13.595 -6.774 -10.514 1.00 72.11 H new ATOM 0 HB2 LEU A 8 11.954 -7.546 -12.952 1.00 42.54 H new ATOM 0 HB3 LEU A 8 13.702 -7.642 -12.865 1.00 42.54 H new ATOM 0 HG LEU A 8 11.834 -9.172 -11.035 1.00 2.25 H new ATOM 0 HD11 LEU A 8 12.373 -11.135 -12.427 1.00 63.42 H new ATOM 0 HD12 LEU A 8 11.518 -9.881 -13.357 1.00 63.42 H new ATOM 0 HD13 LEU A 8 13.276 -10.086 -13.546 1.00 63.42 H new ATOM 0 HD21 LEU A 8 13.845 -10.510 -10.549 1.00 1.35 H new ATOM 0 HD22 LEU A 8 14.806 -9.438 -11.596 1.00 1.35 H new ATOM 0 HD23 LEU A 8 14.067 -8.801 -10.107 1.00 1.35 H new ATOM 98 N SER A 9 14.279 -4.723 -11.714 1.00 43.14 N ATOM 99 CA SER A 9 14.668 -3.450 -12.311 1.00 14.32 C ATOM 100 C SER A 9 15.028 -3.629 -13.783 1.00 45.53 C ATOM 101 O SER A 9 14.836 -4.701 -14.355 1.00 4.41 O ATOM 102 CB SER A 9 15.853 -2.849 -11.553 1.00 0.20 C ATOM 103 OG SER A 9 17.067 -3.482 -11.921 1.00 53.14 O ATOM 0 H SER A 9 15.000 -5.156 -11.137 1.00 43.14 H new ATOM 0 HA SER A 9 13.820 -2.769 -12.243 1.00 14.32 H new ATOM 0 HB2 SER A 9 15.918 -1.781 -11.761 1.00 0.20 H new ATOM 0 HB3 SER A 9 15.694 -2.955 -10.480 1.00 0.20 H new ATOM 0 HG SER A 9 17.810 -3.079 -11.424 1.00 53.14 H new ATOM 109 N GLY A 10 15.551 -2.568 -14.390 1.00 3.14 N ATOM 110 CA GLY A 10 15.931 -2.626 -15.790 1.00 15.12 C ATOM 111 C GLY A 10 16.878 -3.771 -16.086 1.00 44.20 C ATOM 112 O GLY A 10 16.653 -4.550 -17.012 1.00 14.51 O ATOM 0 H GLY A 10 15.718 -1.669 -13.937 1.00 3.14 H new ATOM 0 HA2 GLY A 10 15.035 -2.732 -16.402 1.00 15.12 H new ATOM 0 HA3 GLY A 10 16.403 -1.685 -16.075 1.00 15.12 H new ATOM 116 N GLY A 11 17.946 -3.873 -15.299 1.00 64.40 N ATOM 117 CA GLY A 11 18.917 -4.932 -15.499 1.00 5.01 C ATOM 118 C GLY A 11 18.350 -6.304 -15.195 1.00 20.35 C ATOM 119 O GLY A 11 18.528 -7.243 -15.970 1.00 64.34 O ATOM 0 H GLY A 11 18.155 -3.240 -14.527 1.00 64.40 H new ATOM 0 HA2 GLY A 11 19.269 -4.908 -16.530 1.00 5.01 H new ATOM 0 HA3 GLY A 11 19.783 -4.751 -14.863 1.00 5.01 H new ATOM 123 N GLU A 12 17.665 -6.422 -14.061 1.00 43.42 N ATOM 124 CA GLU A 12 17.072 -7.690 -13.656 1.00 41.43 C ATOM 125 C GLU A 12 16.039 -8.159 -14.676 1.00 2.44 C ATOM 126 O GLU A 12 15.827 -9.359 -14.855 1.00 33.54 O ATOM 127 CB GLU A 12 16.420 -7.557 -12.278 1.00 74.25 C ATOM 128 CG GLU A 12 17.320 -6.909 -11.238 1.00 20.12 C ATOM 129 CD GLU A 12 16.712 -6.924 -9.850 1.00 12.34 C ATOM 130 OE1 GLU A 12 15.793 -6.117 -9.597 1.00 71.02 O ATOM 131 OE2 GLU A 12 17.154 -7.742 -9.016 1.00 43.12 O1- ATOM 0 H GLU A 12 17.508 -5.655 -13.408 1.00 43.42 H new ATOM 0 HA GLU A 12 17.868 -8.433 -13.603 1.00 41.43 H new ATOM 0 HB2 GLU A 12 15.507 -6.969 -12.373 1.00 74.25 H new ATOM 0 HB3 GLU A 12 16.127 -8.547 -11.927 1.00 74.25 H new ATOM 0 HG2 GLU A 12 18.278 -7.429 -11.217 1.00 20.12 H new ATOM 0 HG3 GLU A 12 17.523 -5.879 -11.530 1.00 20.12 H new ATOM 138 N LEU A 13 15.399 -7.205 -15.342 1.00 62.03 N ATOM 139 CA LEU A 13 14.387 -7.519 -16.345 1.00 42.13 C ATOM 140 C LEU A 13 15.002 -8.263 -17.525 1.00 4.44 C ATOM 141 O LEU A 13 14.541 -9.341 -17.901 1.00 74.43 O ATOM 142 CB LEU A 13 13.710 -6.236 -16.833 1.00 23.24 C ATOM 143 CG LEU A 13 12.413 -6.421 -17.622 1.00 65.25 C ATOM 144 CD1 LEU A 13 11.401 -7.210 -16.806 1.00 71.54 C ATOM 145 CD2 LEU A 13 11.838 -5.071 -18.027 1.00 45.51 C ATOM 0 H LEU A 13 15.563 -6.207 -15.206 1.00 62.03 H new ATOM 0 HA LEU A 13 13.640 -8.164 -15.882 1.00 42.13 H new ATOM 0 HB2 LEU A 13 13.499 -5.608 -15.967 1.00 23.24 H new ATOM 0 HB3 LEU A 13 14.417 -5.690 -17.458 1.00 23.24 H new ATOM 0 HG LEU A 13 12.638 -6.984 -18.528 1.00 65.25 H new ATOM 0 HD11 LEU A 13 10.484 -7.332 -17.383 1.00 71.54 H new ATOM 0 HD12 LEU A 13 11.812 -8.191 -16.566 1.00 71.54 H new ATOM 0 HD13 LEU A 13 11.180 -6.674 -15.883 1.00 71.54 H new ATOM 0 HD21 LEU A 13 10.915 -5.222 -18.588 1.00 45.51 H new ATOM 0 HD22 LEU A 13 11.628 -4.482 -17.134 1.00 45.51 H new ATOM 0 HD23 LEU A 13 12.558 -4.541 -18.650 1.00 45.51 H new ATOM 157 N ASP A 14 16.049 -7.684 -18.104 1.00 72.51 N ATOM 158 CA ASP A 14 16.730 -8.294 -19.239 1.00 33.14 C ATOM 159 C ASP A 14 17.115 -9.738 -18.930 1.00 23.50 C ATOM 160 O ASP A 14 16.815 -10.650 -19.701 1.00 73.02 O ATOM 161 CB ASP A 14 17.977 -7.488 -19.606 1.00 0.11 C ATOM 162 CG ASP A 14 17.868 -6.842 -20.973 1.00 5.21 C ATOM 163 OD1 ASP A 14 16.750 -6.430 -21.346 1.00 60.45 O1- ATOM 164 OD2 ASP A 14 18.900 -6.750 -21.671 1.00 54.41 O ATOM 0 H ASP A 14 16.444 -6.792 -17.805 1.00 72.51 H new ATOM 0 HA ASP A 14 16.044 -8.293 -20.086 1.00 33.14 H new ATOM 0 HB2 ASP A 14 18.141 -6.716 -18.855 1.00 0.11 H new ATOM 0 HB3 ASP A 14 18.848 -8.143 -19.585 1.00 0.11 H new ATOM 169 N LYS A 15 17.781 -9.938 -17.799 1.00 75.33 N ATOM 170 CA LYS A 15 18.207 -11.270 -17.386 1.00 24.02 C ATOM 171 C LYS A 15 17.003 -12.171 -17.129 1.00 55.15 C ATOM 172 O LYS A 15 17.013 -13.350 -17.480 1.00 54.21 O ATOM 173 CB LYS A 15 19.071 -11.184 -16.126 1.00 62.30 C ATOM 174 CG LYS A 15 20.563 -11.204 -16.409 1.00 64.22 C ATOM 175 CD LYS A 15 21.052 -9.861 -16.924 1.00 71.22 C ATOM 176 CE LYS A 15 22.387 -9.990 -17.640 1.00 43.03 C ATOM 177 NZ LYS A 15 23.530 -9.996 -16.684 1.00 31.25 N1+ ATOM 0 H LYS A 15 18.038 -9.194 -17.151 1.00 75.33 H new ATOM 0 HA LYS A 15 18.796 -11.702 -18.194 1.00 24.02 H new ATOM 0 HB2 LYS A 15 18.824 -10.269 -15.588 1.00 62.30 H new ATOM 0 HB3 LYS A 15 18.823 -12.017 -15.468 1.00 62.30 H new ATOM 0 HG2 LYS A 15 21.103 -11.464 -15.499 1.00 64.22 H new ATOM 0 HG3 LYS A 15 20.784 -11.979 -17.143 1.00 64.22 H new ATOM 0 HD2 LYS A 15 20.312 -9.440 -17.605 1.00 71.22 H new ATOM 0 HD3 LYS A 15 21.151 -9.165 -16.091 1.00 71.22 H new ATOM 0 HE2 LYS A 15 22.398 -10.909 -18.225 1.00 43.03 H new ATOM 0 HE3 LYS A 15 22.504 -9.164 -18.342 1.00 43.03 H new ATOM 0 HZ1 LYS A 15 24.349 -9.524 -17.119 1.00 31.25 H new ATOM 0 HZ2 LYS A 15 23.260 -9.490 -15.816 1.00 31.25 H new ATOM 0 HZ3 LYS A 15 23.781 -10.978 -16.449 1.00 31.25 H new ATOM 191 N TRP A 16 15.969 -11.607 -16.516 1.00 30.44 N ATOM 192 CA TRP A 16 14.757 -12.360 -16.214 1.00 73.21 C ATOM 193 C TRP A 16 14.169 -12.976 -17.479 1.00 11.41 C ATOM 194 O TRP A 16 13.969 -14.189 -17.553 1.00 50.23 O ATOM 195 CB TRP A 16 13.722 -11.454 -15.545 1.00 51.04 C ATOM 196 CG TRP A 16 12.391 -12.115 -15.350 1.00 55.30 C ATOM 197 CD1 TRP A 16 11.285 -11.979 -16.138 1.00 32.24 C ATOM 198 CD2 TRP A 16 12.027 -13.013 -14.295 1.00 12.41 C ATOM 199 NE1 TRP A 16 10.255 -12.740 -15.638 1.00 73.24 N ATOM 200 CE2 TRP A 16 10.685 -13.384 -14.509 1.00 72.03 C ATOM 201 CE3 TRP A 16 12.705 -13.541 -13.194 1.00 54.01 C ATOM 202 CZ2 TRP A 16 10.011 -14.257 -13.659 1.00 22.23 C ATOM 203 CZ3 TRP A 16 12.034 -14.407 -12.351 1.00 3.54 C ATOM 204 CH2 TRP A 16 10.699 -14.759 -12.588 1.00 62.32 C ATOM 0 H TRP A 16 15.945 -10.632 -16.218 1.00 30.44 H new ATOM 0 HA TRP A 16 15.021 -13.166 -15.529 1.00 73.21 H new ATOM 0 HB2 TRP A 16 14.104 -11.131 -14.577 1.00 51.04 H new ATOM 0 HB3 TRP A 16 13.589 -10.557 -16.151 1.00 51.04 H new ATOM 0 HD1 TRP A 16 11.227 -11.364 -17.024 1.00 32.24 H new ATOM 0 HE1 TRP A 16 9.322 -12.813 -16.043 1.00 73.24 H new ATOM 0 HE3 TRP A 16 13.735 -13.277 -13.005 1.00 54.01 H new ATOM 0 HZ2 TRP A 16 8.981 -14.528 -13.839 1.00 22.23 H new ATOM 0 HZ3 TRP A 16 12.548 -14.819 -11.495 1.00 3.54 H new ATOM 0 HH2 TRP A 16 10.203 -15.440 -11.912 1.00 62.32 H new ATOM 215 N GLU A 17 13.895 -12.135 -18.470 1.00 34.01 N ATOM 216 CA GLU A 17 13.329 -12.599 -19.732 1.00 14.42 C ATOM 217 C GLU A 17 14.252 -13.616 -20.399 1.00 63.40 C ATOM 218 O GLU A 17 13.806 -14.456 -21.181 1.00 41.24 O ATOM 219 CB GLU A 17 13.087 -11.418 -20.674 1.00 53.34 C ATOM 220 CG GLU A 17 11.923 -10.536 -20.256 1.00 54.24 C ATOM 221 CD GLU A 17 11.607 -9.463 -21.279 1.00 32.11 C ATOM 222 OE1 GLU A 17 12.053 -9.598 -22.438 1.00 72.41 O1- ATOM 223 OE2 GLU A 17 10.913 -8.488 -20.921 1.00 5.01 O ATOM 0 H GLU A 17 14.055 -11.129 -18.424 1.00 34.01 H new ATOM 0 HA GLU A 17 12.376 -13.083 -19.518 1.00 14.42 H new ATOM 0 HB2 GLU A 17 13.992 -10.812 -20.724 1.00 53.34 H new ATOM 0 HB3 GLU A 17 12.902 -11.797 -21.679 1.00 53.34 H new ATOM 0 HG2 GLU A 17 11.040 -11.156 -20.101 1.00 54.24 H new ATOM 0 HG3 GLU A 17 12.154 -10.065 -19.301 1.00 54.24 H new ATOM 230 N LYS A 18 15.540 -13.532 -20.086 1.00 4.12 N ATOM 231 CA LYS A 18 16.527 -14.443 -20.654 1.00 61.53 C ATOM 232 C LYS A 18 16.454 -15.810 -19.982 1.00 4.13 C ATOM 233 O LYS A 18 16.429 -16.841 -20.655 1.00 20.24 O ATOM 234 CB LYS A 18 17.934 -13.862 -20.502 1.00 42.41 C ATOM 235 CG LYS A 18 18.768 -13.948 -21.769 1.00 21.53 C ATOM 236 CD LYS A 18 20.186 -14.406 -21.473 1.00 24.10 C ATOM 237 CE LYS A 18 21.213 -13.521 -22.164 1.00 42.31 C ATOM 238 NZ LYS A 18 21.237 -13.744 -23.636 1.00 10.55 N1+ ATOM 0 H LYS A 18 15.925 -12.842 -19.441 1.00 4.12 H new ATOM 0 HA LYS A 18 16.305 -14.566 -21.714 1.00 61.53 H new ATOM 0 HB2 LYS A 18 17.856 -12.818 -20.199 1.00 42.41 H new ATOM 0 HB3 LYS A 18 18.451 -14.389 -19.700 1.00 42.41 H new ATOM 0 HG2 LYS A 18 18.299 -14.641 -22.468 1.00 21.53 H new ATOM 0 HG3 LYS A 18 18.794 -12.973 -22.256 1.00 21.53 H new ATOM 0 HD2 LYS A 18 20.357 -14.392 -20.397 1.00 24.10 H new ATOM 0 HD3 LYS A 18 20.313 -15.437 -21.802 1.00 24.10 H new ATOM 0 HE2 LYS A 18 20.987 -12.475 -21.959 1.00 42.31 H new ATOM 0 HE3 LYS A 18 22.201 -13.721 -21.750 1.00 42.31 H new ATOM 0 HZ1 LYS A 18 21.949 -13.123 -24.070 1.00 10.55 H new ATOM 0 HZ2 LYS A 18 21.477 -14.736 -23.833 1.00 10.55 H new ATOM 0 HZ3 LYS A 18 20.301 -13.529 -24.035 1.00 10.55 H new ATOM 252 N ILE A 19 16.421 -15.811 -18.654 1.00 32.55 N ATOM 253 CA ILE A 19 16.348 -17.052 -17.893 1.00 31.52 C ATOM 254 C ILE A 19 15.205 -17.933 -18.386 1.00 35.41 C ATOM 255 O ILE A 19 14.117 -17.445 -18.689 1.00 74.43 O ATOM 256 CB ILE A 19 16.159 -16.780 -16.390 1.00 54.02 C ATOM 257 CG1 ILE A 19 17.318 -15.938 -15.852 1.00 44.05 C ATOM 258 CG2 ILE A 19 16.050 -18.090 -15.624 1.00 33.23 C ATOM 259 CD1 ILE A 19 16.882 -14.853 -14.892 1.00 63.12 C ATOM 0 H ILE A 19 16.444 -14.966 -18.083 1.00 32.55 H new ATOM 0 HA ILE A 19 17.295 -17.571 -18.044 1.00 31.52 H new ATOM 0 HB ILE A 19 15.233 -16.222 -16.251 1.00 54.02 H new ATOM 0 HG12 ILE A 19 18.029 -16.593 -15.349 1.00 44.05 H new ATOM 0 HG13 ILE A 19 17.844 -15.481 -16.690 1.00 44.05 H new ATOM 0 HG21 ILE A 19 15.917 -17.881 -14.563 1.00 33.23 H new ATOM 0 HG22 ILE A 19 15.195 -18.657 -15.992 1.00 33.23 H new ATOM 0 HG23 ILE A 19 16.960 -18.672 -15.768 1.00 33.23 H new ATOM 0 HD11 ILE A 19 17.755 -14.296 -14.551 1.00 63.12 H new ATOM 0 HD12 ILE A 19 16.194 -14.175 -15.397 1.00 63.12 H new ATOM 0 HD13 ILE A 19 16.382 -15.305 -14.035 1.00 63.12 H new ATOM 271 N ARG A 20 15.460 -19.236 -18.463 1.00 73.32 N ATOM 272 CA ARG A 20 14.453 -20.186 -18.918 1.00 33.40 C ATOM 273 C ARG A 20 13.762 -20.857 -17.734 1.00 44.55 C ATOM 274 O ARG A 20 14.303 -20.896 -16.628 1.00 54.42 O ATOM 275 CB ARG A 20 15.090 -21.246 -19.819 1.00 74.13 C ATOM 276 CG ARG A 20 15.370 -20.757 -21.230 1.00 31.33 C ATOM 277 CD ARG A 20 16.683 -21.311 -21.761 1.00 24.33 C ATOM 278 NE ARG A 20 16.976 -20.828 -23.107 1.00 64.33 N ATOM 279 CZ ARG A 20 18.024 -21.225 -23.820 1.00 12.45 C ATOM 280 NH1 ARG A 20 18.874 -22.111 -23.317 1.00 14.40 N1+ ATOM 281 NH2 ARG A 20 18.225 -20.740 -25.038 1.00 35.43 N ATOM 0 H ARG A 20 16.356 -19.657 -18.216 1.00 73.32 H new ATOM 0 HA ARG A 20 13.704 -19.637 -19.489 1.00 33.40 H new ATOM 0 HB2 ARG A 20 16.024 -21.581 -19.368 1.00 74.13 H new ATOM 0 HB3 ARG A 20 14.431 -22.113 -19.868 1.00 74.13 H new ATOM 0 HG2 ARG A 20 14.555 -21.056 -21.889 1.00 31.33 H new ATOM 0 HG3 ARG A 20 15.403 -19.668 -21.239 1.00 31.33 H new ATOM 0 HD2 ARG A 20 17.494 -21.028 -21.090 1.00 24.33 H new ATOM 0 HD3 ARG A 20 16.641 -22.400 -21.768 1.00 24.33 H new ATOM 0 HE ARG A 20 16.340 -20.148 -23.523 1.00 64.33 H new ATOM 0 HH11 ARG A 20 18.723 -22.488 -22.381 1.00 14.40 H new ATOM 0 HH12 ARG A 20 19.678 -22.415 -23.866 1.00 14.40 H new ATOM 0 HH21 ARG A 20 17.574 -20.060 -25.430 1.00 35.43 H new ATOM 0 HH22 ARG A 20 19.031 -21.047 -25.583 1.00 35.43 H new ATOM 295 N LEU A 21 12.567 -21.384 -17.972 1.00 63.11 N ATOM 296 CA LEU A 21 11.803 -22.054 -16.925 1.00 45.23 C ATOM 297 C LEU A 21 12.441 -23.390 -16.556 1.00 74.20 C ATOM 298 O LEU A 21 12.278 -23.878 -15.438 1.00 53.35 O ATOM 299 CB LEU A 21 10.359 -22.273 -17.381 1.00 3.45 C ATOM 300 CG LEU A 21 9.551 -21.010 -17.682 1.00 4.45 C ATOM 301 CD1 LEU A 21 8.486 -21.296 -18.728 1.00 61.52 C ATOM 302 CD2 LEU A 21 8.920 -20.467 -16.409 1.00 75.51 C ATOM 0 H LEU A 21 12.105 -21.361 -18.881 1.00 63.11 H new ATOM 0 HA LEU A 21 11.805 -21.415 -16.042 1.00 45.23 H new ATOM 0 HB2 LEU A 21 10.372 -22.894 -18.277 1.00 3.45 H new ATOM 0 HB3 LEU A 21 9.837 -22.839 -16.609 1.00 3.45 H new ATOM 0 HG LEU A 21 10.227 -20.253 -18.080 1.00 4.45 H new ATOM 0 HD11 LEU A 21 7.921 -20.386 -18.930 1.00 61.52 H new ATOM 0 HD12 LEU A 21 8.961 -21.639 -19.647 1.00 61.52 H new ATOM 0 HD13 LEU A 21 7.811 -22.068 -18.358 1.00 61.52 H new ATOM 0 HD21 LEU A 21 8.349 -19.568 -16.641 1.00 75.51 H new ATOM 0 HD22 LEU A 21 8.256 -21.219 -15.983 1.00 75.51 H new ATOM 0 HD23 LEU A 21 9.702 -20.224 -15.690 1.00 75.51 H new ATOM 314 N ARG A 22 13.169 -23.974 -17.502 1.00 22.53 N ATOM 315 CA ARG A 22 13.831 -25.253 -17.276 1.00 52.44 C ATOM 316 C ARG A 22 15.185 -25.295 -17.980 1.00 0.24 C ATOM 317 O ARG A 22 15.453 -24.535 -18.910 1.00 64.40 O ATOM 318 CB ARG A 22 12.951 -26.402 -17.770 1.00 41.13 C ATOM 319 CG ARG A 22 11.939 -26.879 -16.742 1.00 34.41 C ATOM 320 CD ARG A 22 10.515 -26.568 -17.176 1.00 4.14 C ATOM 321 NE ARG A 22 10.042 -27.494 -18.202 1.00 32.22 N ATOM 322 CZ ARG A 22 8.759 -27.662 -18.506 1.00 11.53 C ATOM 323 NH1 ARG A 22 7.828 -26.969 -17.866 1.00 75.32 N1+ ATOM 324 NH2 ARG A 22 8.407 -28.524 -19.452 1.00 41.51 N ATOM 0 H ARG A 22 13.315 -23.582 -18.432 1.00 22.53 H new ATOM 0 HA ARG A 22 13.994 -25.365 -16.204 1.00 52.44 H new ATOM 0 HB2 ARG A 22 12.422 -26.083 -18.668 1.00 41.13 H new ATOM 0 HB3 ARG A 22 13.588 -27.239 -18.056 1.00 41.13 H new ATOM 0 HG2 ARG A 22 12.049 -27.953 -16.593 1.00 34.41 H new ATOM 0 HG3 ARG A 22 12.141 -26.402 -15.783 1.00 34.41 H new ATOM 0 HD2 ARG A 22 9.853 -26.616 -16.311 1.00 4.14 H new ATOM 0 HD3 ARG A 22 10.467 -25.548 -17.558 1.00 4.14 H new ATOM 0 HE ARG A 22 10.734 -28.042 -18.713 1.00 32.22 H new ATOM 0 HH11 ARG A 22 8.096 -26.306 -17.139 1.00 75.32 H new ATOM 0 HH12 ARG A 22 6.844 -27.099 -18.101 1.00 75.32 H new ATOM 0 HH21 ARG A 22 9.121 -29.058 -19.947 1.00 41.51 H new ATOM 0 HH22 ARG A 22 7.422 -28.652 -19.684 1.00 41.51 H new ATOM 338 N PRO A 23 16.059 -26.205 -17.525 1.00 25.22 N ATOM 339 CA PRO A 23 17.399 -26.370 -18.097 1.00 43.13 C ATOM 340 C PRO A 23 17.362 -26.962 -19.502 1.00 32.25 C ATOM 341 O PRO A 23 18.199 -26.640 -20.345 1.00 51.21 O ATOM 342 CB PRO A 23 18.084 -27.336 -17.127 1.00 75.44 C ATOM 343 CG PRO A 23 16.967 -28.099 -16.503 1.00 31.33 C ATOM 344 CD PRO A 23 15.808 -27.145 -16.420 1.00 50.13 C ATOM 0 HA PRO A 23 17.915 -25.416 -18.205 1.00 43.13 H new ATOM 0 HB2 PRO A 23 18.774 -27.999 -17.649 1.00 75.44 H new ATOM 0 HB3 PRO A 23 18.665 -26.799 -16.377 1.00 75.44 H new ATOM 0 HG2 PRO A 23 16.710 -28.974 -17.101 1.00 31.33 H new ATOM 0 HG3 PRO A 23 17.246 -28.460 -15.513 1.00 31.33 H new ATOM 0 HD2 PRO A 23 14.855 -27.660 -16.539 1.00 50.13 H new ATOM 0 HD3 PRO A 23 15.776 -26.634 -15.458 1.00 50.13 H new ATOM 352 N GLY A 24 16.385 -27.830 -19.747 1.00 42.22 N ATOM 353 CA GLY A 24 16.257 -28.454 -21.051 1.00 64.15 C ATOM 354 C GLY A 24 15.021 -27.988 -21.797 1.00 1.45 C ATOM 355 O GLY A 24 14.380 -28.771 -22.498 1.00 42.22 O ATOM 0 H GLY A 24 15.680 -28.112 -19.066 1.00 42.22 H new ATOM 0 HA2 GLY A 24 17.143 -28.231 -21.646 1.00 64.15 H new ATOM 0 HA3 GLY A 24 16.219 -29.537 -20.930 1.00 64.15 H new ATOM 359 N GLY A 25 14.685 -26.712 -21.646 1.00 75.15 N ATOM 360 CA GLY A 25 13.518 -26.167 -22.314 1.00 45.44 C ATOM 361 C GLY A 25 13.829 -24.897 -23.082 1.00 5.42 C ATOM 362 O GLY A 25 14.959 -24.406 -23.054 1.00 33.43 O ATOM 0 H GLY A 25 15.201 -26.045 -21.072 1.00 75.15 H new ATOM 0 HA2 GLY A 25 13.114 -26.912 -22.999 1.00 45.44 H new ATOM 0 HA3 GLY A 25 12.744 -25.961 -21.575 1.00 45.44 H new ATOM 366 N LYS A 26 12.828 -24.364 -23.772 1.00 22.22 N ATOM 367 CA LYS A 26 12.999 -23.145 -24.553 1.00 43.12 C ATOM 368 C LYS A 26 12.128 -22.019 -24.002 1.00 23.15 C ATOM 369 O LYS A 26 12.439 -20.840 -24.170 1.00 15.22 O ATOM 370 CB LYS A 26 12.652 -23.400 -26.021 1.00 33.14 C ATOM 371 CG LYS A 26 13.496 -24.488 -26.665 1.00 31.23 C ATOM 372 CD LYS A 26 14.218 -23.976 -27.899 1.00 72.02 C ATOM 373 CE LYS A 26 15.573 -24.645 -28.070 1.00 11.05 C ATOM 374 NZ LYS A 26 15.861 -24.959 -29.497 1.00 73.42 N1+ ATOM 0 H LYS A 26 11.888 -24.758 -23.807 1.00 22.22 H new ATOM 0 HA LYS A 26 14.044 -22.842 -24.481 1.00 43.12 H new ATOM 0 HB2 LYS A 26 11.600 -23.676 -26.094 1.00 33.14 H new ATOM 0 HB3 LYS A 26 12.778 -22.474 -26.582 1.00 33.14 H new ATOM 0 HG2 LYS A 26 14.224 -24.859 -25.944 1.00 31.23 H new ATOM 0 HG3 LYS A 26 12.860 -25.330 -26.938 1.00 31.23 H new ATOM 0 HD2 LYS A 26 13.606 -24.160 -28.782 1.00 72.02 H new ATOM 0 HD3 LYS A 26 14.351 -22.897 -27.822 1.00 72.02 H new ATOM 0 HE2 LYS A 26 16.352 -23.992 -27.678 1.00 11.05 H new ATOM 0 HE3 LYS A 26 15.601 -25.563 -27.483 1.00 11.05 H new ATOM 0 HZ1 LYS A 26 16.793 -25.414 -29.571 1.00 73.42 H new ATOM 0 HZ2 LYS A 26 15.132 -25.603 -29.865 1.00 73.42 H new ATOM 0 HZ3 LYS A 26 15.860 -24.080 -30.053 1.00 73.42 H new ATOM 388 N LYS A 27 11.036 -22.392 -23.343 1.00 65.42 N ATOM 389 CA LYS A 27 10.121 -21.415 -22.765 1.00 20.22 C ATOM 390 C LYS A 27 10.851 -20.492 -21.796 1.00 75.00 C ATOM 391 O LYS A 27 11.176 -20.886 -20.676 1.00 32.33 O ATOM 392 CB LYS A 27 8.973 -22.126 -22.043 1.00 1.12 C ATOM 393 CG LYS A 27 8.068 -22.917 -22.972 1.00 14.52 C ATOM 394 CD LYS A 27 6.793 -22.156 -23.291 1.00 11.21 C ATOM 395 CE LYS A 27 6.527 -22.117 -24.787 1.00 45.12 C ATOM 396 NZ LYS A 27 7.200 -20.960 -25.440 1.00 1.33 N1+ ATOM 0 H LYS A 27 10.763 -23.364 -23.196 1.00 65.42 H new ATOM 0 HA LYS A 27 9.714 -20.811 -23.576 1.00 20.22 H new ATOM 0 HB2 LYS A 27 9.388 -22.800 -21.293 1.00 1.12 H new ATOM 0 HB3 LYS A 27 8.376 -21.386 -21.511 1.00 1.12 H new ATOM 0 HG2 LYS A 27 8.600 -23.140 -23.897 1.00 14.52 H new ATOM 0 HG3 LYS A 27 7.817 -23.872 -22.510 1.00 14.52 H new ATOM 0 HD2 LYS A 27 5.951 -22.626 -22.783 1.00 11.21 H new ATOM 0 HD3 LYS A 27 6.870 -21.139 -22.907 1.00 11.21 H new ATOM 0 HE2 LYS A 27 6.876 -23.044 -25.242 1.00 45.12 H new ATOM 0 HE3 LYS A 27 5.453 -22.059 -24.964 1.00 45.12 H new ATOM 0 HZ1 LYS A 27 6.994 -20.969 -26.459 1.00 1.33 H new ATOM 0 HZ2 LYS A 27 6.849 -20.074 -25.024 1.00 1.33 H new ATOM 0 HZ3 LYS A 27 8.227 -21.028 -25.294 1.00 1.33 H new ATOM 410 N GLN A 28 11.105 -19.263 -22.233 1.00 13.12 N ATOM 411 CA GLN A 28 11.796 -18.284 -21.402 1.00 4.14 C ATOM 412 C GLN A 28 10.873 -17.743 -20.315 1.00 65.43 C ATOM 413 O GLN A 28 9.679 -18.046 -20.293 1.00 4.33 O ATOM 414 CB GLN A 28 12.322 -17.134 -22.262 1.00 22.43 C ATOM 415 CG GLN A 28 13.009 -17.593 -23.538 1.00 13.11 C ATOM 416 CD GLN A 28 13.663 -16.452 -24.292 1.00 51.43 C ATOM 417 OE1 GLN A 28 12.996 -15.502 -24.702 1.00 45.43 O ATOM 418 NE2 GLN A 28 14.975 -16.540 -24.477 1.00 61.33 N ATOM 0 H GLN A 28 10.843 -18.921 -23.158 1.00 13.12 H new ATOM 0 HA GLN A 28 12.638 -18.783 -20.922 1.00 4.14 H new ATOM 0 HB2 GLN A 28 11.492 -16.477 -22.522 1.00 22.43 H new ATOM 0 HB3 GLN A 28 13.024 -16.543 -21.674 1.00 22.43 H new ATOM 0 HG2 GLN A 28 13.763 -18.340 -23.291 1.00 13.11 H new ATOM 0 HG3 GLN A 28 12.279 -18.079 -24.185 1.00 13.11 H new ATOM 0 HE21 GLN A 28 15.488 -17.346 -24.119 1.00 61.33 H new ATOM 0 HE22 GLN A 28 15.470 -15.801 -24.977 1.00 61.33 H new ATOM 427 N TYR A 29 11.431 -16.940 -19.417 1.00 45.11 N ATOM 428 CA TYR A 29 10.658 -16.358 -18.327 1.00 1.43 C ATOM 429 C TYR A 29 9.982 -15.064 -18.769 1.00 54.01 C ATOM 430 O TYR A 29 10.479 -14.356 -19.645 1.00 33.12 O ATOM 431 CB TYR A 29 11.561 -16.089 -17.121 1.00 72.31 C ATOM 432 CG TYR A 29 11.488 -17.161 -16.058 1.00 14.14 C ATOM 433 CD1 TYR A 29 10.423 -17.211 -15.166 1.00 21.15 C ATOM 434 CD2 TYR A 29 12.483 -18.124 -15.945 1.00 14.40 C ATOM 435 CE1 TYR A 29 10.352 -18.188 -14.193 1.00 33.05 C ATOM 436 CE2 TYR A 29 12.419 -19.106 -14.975 1.00 74.10 C ATOM 437 CZ TYR A 29 11.352 -19.134 -14.102 1.00 54.43 C ATOM 438 OH TYR A 29 11.286 -20.110 -13.134 1.00 34.11 O ATOM 0 H TYR A 29 12.416 -16.677 -19.422 1.00 45.11 H new ATOM 0 HA TYR A 29 9.885 -17.071 -18.042 1.00 1.43 H new ATOM 0 HB2 TYR A 29 12.592 -15.998 -17.463 1.00 72.31 H new ATOM 0 HB3 TYR A 29 11.286 -15.131 -16.679 1.00 72.31 H new ATOM 0 HD1 TYR A 29 9.638 -16.473 -15.235 1.00 21.15 H new ATOM 0 HD2 TYR A 29 13.320 -18.105 -16.627 1.00 14.40 H new ATOM 0 HE1 TYR A 29 9.518 -18.212 -13.507 1.00 33.05 H new ATOM 0 HE2 TYR A 29 13.201 -19.848 -14.901 1.00 74.10 H new ATOM 0 HH TYR A 29 12.068 -20.697 -13.207 1.00 34.11 H new ATOM 448 N LYS A 30 8.842 -14.762 -18.155 1.00 41.35 N ATOM 449 CA LYS A 30 8.095 -13.552 -18.482 1.00 11.34 C ATOM 450 C LYS A 30 7.273 -13.081 -17.286 1.00 2.50 C ATOM 451 O LYS A 30 7.138 -13.796 -16.293 1.00 54.23 O ATOM 452 CB LYS A 30 7.177 -13.803 -19.679 1.00 32.24 C ATOM 453 CG LYS A 30 7.645 -13.129 -20.957 1.00 23.44 C ATOM 454 CD LYS A 30 7.127 -13.851 -22.190 1.00 21.32 C ATOM 455 CE LYS A 30 7.658 -13.222 -23.468 1.00 64.53 C ATOM 456 NZ LYS A 30 8.325 -14.224 -24.345 1.00 10.02 N1+ ATOM 0 H LYS A 30 8.416 -15.338 -17.429 1.00 41.35 H new ATOM 0 HA LYS A 30 8.810 -12.771 -18.739 1.00 11.34 H new ATOM 0 HB2 LYS A 30 7.103 -14.877 -19.851 1.00 32.24 H new ATOM 0 HB3 LYS A 30 6.175 -13.449 -19.438 1.00 32.24 H new ATOM 0 HG2 LYS A 30 7.303 -12.094 -20.970 1.00 23.44 H new ATOM 0 HG3 LYS A 30 8.735 -13.105 -20.979 1.00 23.44 H new ATOM 0 HD2 LYS A 30 7.422 -14.900 -22.150 1.00 21.32 H new ATOM 0 HD3 LYS A 30 6.037 -13.826 -22.197 1.00 21.32 H new ATOM 0 HE2 LYS A 30 6.837 -12.754 -24.011 1.00 64.53 H new ATOM 0 HE3 LYS A 30 8.365 -12.432 -23.217 1.00 64.53 H new ATOM 0 HZ1 LYS A 30 8.673 -13.755 -25.206 1.00 10.02 H new ATOM 0 HZ2 LYS A 30 9.125 -14.653 -23.837 1.00 10.02 H new ATOM 0 HZ3 LYS A 30 7.644 -14.965 -24.606 1.00 10.02 H new ATOM 470 N LEU A 31 6.725 -11.876 -17.390 1.00 51.31 N ATOM 471 CA LEU A 31 5.914 -11.310 -16.318 1.00 74.23 C ATOM 472 C LEU A 31 4.778 -12.254 -15.937 1.00 2.13 C ATOM 473 O LEU A 31 4.301 -12.244 -14.802 1.00 1.45 O ATOM 474 CB LEU A 31 5.345 -9.955 -16.743 1.00 54.14 C ATOM 475 CG LEU A 31 6.355 -8.814 -16.875 1.00 24.14 C ATOM 476 CD1 LEU A 31 5.907 -7.826 -17.941 1.00 32.35 C ATOM 477 CD2 LEU A 31 6.545 -8.111 -15.539 1.00 20.11 C ATOM 0 H LEU A 31 6.827 -11.272 -18.205 1.00 51.31 H new ATOM 0 HA LEU A 31 6.554 -11.172 -15.447 1.00 74.23 H new ATOM 0 HB2 LEU A 31 4.841 -10.080 -17.701 1.00 54.14 H new ATOM 0 HB3 LEU A 31 4.586 -9.659 -16.019 1.00 54.14 H new ATOM 0 HG LEU A 31 7.313 -9.236 -17.179 1.00 24.14 H new ATOM 0 HD11 LEU A 31 6.638 -7.021 -18.021 1.00 32.35 H new ATOM 0 HD12 LEU A 31 5.824 -8.338 -18.900 1.00 32.35 H new ATOM 0 HD13 LEU A 31 4.937 -7.410 -17.667 1.00 32.35 H new ATOM 0 HD21 LEU A 31 7.267 -7.302 -15.653 1.00 20.11 H new ATOM 0 HD22 LEU A 31 5.592 -7.702 -15.204 1.00 20.11 H new ATOM 0 HD23 LEU A 31 6.913 -8.824 -14.801 1.00 20.11 H new ATOM 489 N LYS A 32 4.350 -13.071 -16.893 1.00 73.10 N ATOM 490 CA LYS A 32 3.273 -14.026 -16.659 1.00 35.01 C ATOM 491 C LYS A 32 3.554 -14.871 -15.420 1.00 2.11 C ATOM 492 O LYS A 32 2.632 -15.310 -14.733 1.00 75.23 O ATOM 493 CB LYS A 32 3.093 -14.933 -17.878 1.00 41.11 C ATOM 494 CG LYS A 32 1.704 -15.538 -17.986 1.00 23.43 C ATOM 495 CD LYS A 32 1.194 -15.510 -19.417 1.00 23.45 C ATOM 496 CE LYS A 32 -0.318 -15.671 -19.474 1.00 3.20 C ATOM 497 NZ LYS A 32 -1.023 -14.394 -19.178 1.00 40.23 N1+ ATOM 0 H LYS A 32 4.733 -13.091 -17.838 1.00 73.10 H new ATOM 0 HA LYS A 32 2.354 -13.464 -16.493 1.00 35.01 H new ATOM 0 HB2 LYS A 32 3.302 -14.359 -18.781 1.00 41.11 H new ATOM 0 HB3 LYS A 32 3.828 -15.737 -17.834 1.00 41.11 H new ATOM 0 HG2 LYS A 32 1.725 -16.567 -17.626 1.00 23.43 H new ATOM 0 HG3 LYS A 32 1.016 -14.989 -17.343 1.00 23.43 H new ATOM 0 HD2 LYS A 32 1.479 -14.569 -19.887 1.00 23.45 H new ATOM 0 HD3 LYS A 32 1.668 -16.308 -19.989 1.00 23.45 H new ATOM 0 HE2 LYS A 32 -0.608 -16.025 -20.463 1.00 3.20 H new ATOM 0 HE3 LYS A 32 -0.629 -16.432 -18.759 1.00 3.20 H new ATOM 0 HZ1 LYS A 32 -2.051 -14.545 -19.227 1.00 40.23 H new ATOM 0 HZ2 LYS A 32 -0.766 -14.068 -18.224 1.00 40.23 H new ATOM 0 HZ3 LYS A 32 -0.746 -13.674 -19.876 1.00 40.23 H new ATOM 511 N HIS A 33 4.835 -15.094 -15.140 1.00 74.30 N ATOM 512 CA HIS A 33 5.237 -15.885 -13.982 1.00 45.31 C ATOM 513 C HIS A 33 5.331 -15.011 -12.735 1.00 10.12 C ATOM 514 O HIS A 33 5.063 -15.538 -11.655 1.00 50.20 O ATOM 515 CB HIS A 33 6.582 -16.564 -14.245 1.00 23.23 C ATOM 516 CG HIS A 33 6.658 -17.246 -15.577 1.00 41.12 C ATOM 517 ND1 HIS A 33 7.553 -16.880 -16.559 1.00 5.30 N ATOM 518 CD2 HIS A 33 5.944 -18.276 -16.087 1.00 0.11 C ATOM 519 CE1 HIS A 33 7.386 -17.656 -17.616 1.00 13.24 C ATOM 520 NE2 HIS A 33 6.415 -18.513 -17.354 1.00 62.00 N ATOM 0 H HIS A 33 5.611 -14.739 -15.698 1.00 74.30 H new ATOM 0 HA HIS A 33 4.479 -16.650 -13.813 1.00 45.31 H new ATOM 0 HB2 HIS A 33 7.375 -15.818 -14.182 1.00 23.23 H new ATOM 0 HB3 HIS A 33 6.770 -17.296 -13.460 1.00 23.23 H new ATOM 0 HD2 HIS A 33 5.150 -18.813 -15.589 1.00 0.11 H new ATOM 0 HE1 HIS A 33 7.948 -17.599 -18.537 1.00 13.24 H new ATOM 0 HE2 HIS A 33 6.072 -19.233 -17.990 1.00 62.00 H new ATOM 528 N ILE A 34 5.693 -13.738 -12.849 1.00 65.12 N ATOM 529 CA ILE A 34 5.795 -12.865 -11.687 1.00 31.31 C ATOM 530 C ILE A 34 4.415 -12.490 -11.157 1.00 24.44 C ATOM 531 O ILE A 34 4.209 -12.386 -9.948 1.00 30.42 O ATOM 532 CB ILE A 34 6.574 -11.578 -12.016 1.00 12.02 C ATOM 533 CG1 ILE A 34 7.939 -11.921 -12.617 1.00 71.42 C ATOM 534 CG2 ILE A 34 6.739 -10.725 -10.766 1.00 4.14 C ATOM 535 CD1 ILE A 34 8.683 -10.717 -13.150 1.00 51.52 C ATOM 0 H ILE A 34 5.921 -13.288 -13.736 1.00 65.12 H new ATOM 0 HA ILE A 34 6.336 -13.421 -10.922 1.00 31.31 H new ATOM 0 HB ILE A 34 6.008 -11.006 -12.751 1.00 12.02 H new ATOM 0 HG12 ILE A 34 8.550 -12.408 -11.857 1.00 71.42 H new ATOM 0 HG13 ILE A 34 7.801 -12.640 -13.425 1.00 71.42 H new ATOM 0 HG21 ILE A 34 7.292 -9.819 -11.014 1.00 4.14 H new ATOM 0 HG22 ILE A 34 5.757 -10.456 -10.377 1.00 4.14 H new ATOM 0 HG23 ILE A 34 7.287 -11.288 -10.011 1.00 4.14 H new ATOM 0 HD11 ILE A 34 9.642 -11.034 -13.561 1.00 51.52 H new ATOM 0 HD12 ILE A 34 8.092 -10.241 -13.933 1.00 51.52 H new ATOM 0 HD13 ILE A 34 8.852 -10.006 -12.341 1.00 51.52 H new ATOM 547 N VAL A 35 3.472 -12.289 -12.072 1.00 61.41 N ATOM 548 CA VAL A 35 2.109 -11.929 -11.698 1.00 71.22 C ATOM 549 C VAL A 35 1.378 -13.113 -11.077 1.00 61.32 C ATOM 550 O VAL A 35 0.601 -12.951 -10.136 1.00 30.44 O ATOM 551 CB VAL A 35 1.308 -11.424 -12.914 1.00 12.11 C ATOM 552 CG1 VAL A 35 -0.118 -11.082 -12.509 1.00 21.11 C ATOM 553 CG2 VAL A 35 1.996 -10.222 -13.543 1.00 53.14 C ATOM 0 H VAL A 35 3.627 -12.369 -13.077 1.00 61.41 H new ATOM 0 HA VAL A 35 2.184 -11.127 -10.963 1.00 71.22 H new ATOM 0 HB VAL A 35 1.268 -12.220 -13.657 1.00 12.11 H new ATOM 0 HG11 VAL A 35 -0.669 -10.727 -13.380 1.00 21.11 H new ATOM 0 HG12 VAL A 35 -0.606 -11.971 -12.109 1.00 21.11 H new ATOM 0 HG13 VAL A 35 -0.103 -10.303 -11.747 1.00 21.11 H new ATOM 0 HG21 VAL A 35 1.417 -9.879 -14.400 1.00 53.14 H new ATOM 0 HG22 VAL A 35 2.069 -9.419 -12.809 1.00 53.14 H new ATOM 0 HG23 VAL A 35 2.996 -10.506 -13.871 1.00 53.14 H new ATOM 563 N TRP A 36 1.631 -14.303 -11.611 1.00 55.01 N ATOM 564 CA TRP A 36 0.996 -15.516 -11.108 1.00 2.44 C ATOM 565 C TRP A 36 1.430 -15.804 -9.674 1.00 64.55 C ATOM 566 O TRP A 36 0.595 -15.961 -8.784 1.00 72.22 O ATOM 567 CB TRP A 36 1.341 -16.706 -12.005 1.00 1.11 C ATOM 568 CG TRP A 36 0.838 -18.015 -11.476 1.00 44.15 C ATOM 569 CD1 TRP A 36 -0.435 -18.502 -11.569 1.00 44.44 C ATOM 570 CD2 TRP A 36 1.598 -19.002 -10.770 1.00 75.53 C ATOM 571 NE1 TRP A 36 -0.512 -19.733 -10.963 1.00 44.25 N ATOM 572 CE2 TRP A 36 0.721 -20.062 -10.466 1.00 1.23 C ATOM 573 CE3 TRP A 36 2.932 -19.094 -10.366 1.00 60.30 C ATOM 574 CZ2 TRP A 36 1.139 -21.198 -9.776 1.00 30.44 C ATOM 575 CZ3 TRP A 36 3.344 -20.222 -9.682 1.00 44.32 C ATOM 576 CH2 TRP A 36 2.450 -21.261 -9.393 1.00 24.14 C ATOM 0 H TRP A 36 2.271 -14.454 -12.391 1.00 55.01 H new ATOM 0 HA TRP A 36 -0.083 -15.362 -11.118 1.00 2.44 H new ATOM 0 HB2 TRP A 36 0.921 -16.538 -12.997 1.00 1.11 H new ATOM 0 HB3 TRP A 36 2.423 -16.762 -12.122 1.00 1.11 H new ATOM 0 HD1 TRP A 36 -1.259 -17.994 -12.048 1.00 44.44 H new ATOM 0 HE1 TRP A 36 -1.351 -20.308 -10.894 1.00 44.25 H new ATOM 0 HE3 TRP A 36 3.629 -18.298 -10.584 1.00 60.30 H new ATOM 0 HZ2 TRP A 36 0.452 -22.000 -9.552 1.00 30.44 H new ATOM 0 HZ3 TRP A 36 4.373 -20.304 -9.365 1.00 44.32 H new ATOM 0 HH2 TRP A 36 2.803 -22.129 -8.857 1.00 24.14 H new ATOM 587 N ALA A 37 2.739 -15.870 -9.458 1.00 73.34 N ATOM 588 CA ALA A 37 3.282 -16.135 -8.132 1.00 14.25 C ATOM 589 C ALA A 37 2.689 -15.186 -7.095 1.00 4.13 C ATOM 590 O ALA A 37 2.414 -15.581 -5.964 1.00 14.41 O ATOM 591 CB ALA A 37 4.799 -16.019 -8.150 1.00 12.52 C ATOM 0 H ALA A 37 3.444 -15.744 -10.185 1.00 73.34 H new ATOM 0 HA ALA A 37 3.009 -17.153 -7.852 1.00 14.25 H new ATOM 0 HB1 ALA A 37 5.191 -16.219 -7.153 1.00 12.52 H new ATOM 0 HB2 ALA A 37 5.211 -16.742 -8.854 1.00 12.52 H new ATOM 0 HB3 ALA A 37 5.083 -15.012 -8.456 1.00 12.52 H new ATOM 597 N SER A 38 2.496 -13.932 -7.491 1.00 12.01 N ATOM 598 CA SER A 38 1.940 -12.925 -6.595 1.00 54.23 C ATOM 599 C SER A 38 0.575 -13.360 -6.070 1.00 63.35 C ATOM 600 O SER A 38 0.251 -13.149 -4.901 1.00 14.30 O ATOM 601 CB SER A 38 1.818 -11.581 -7.316 1.00 11.31 C ATOM 602 OG SER A 38 3.073 -11.157 -7.819 1.00 31.43 O ATOM 0 H SER A 38 2.716 -13.589 -8.426 1.00 12.01 H new ATOM 0 HA SER A 38 2.617 -12.814 -5.748 1.00 54.23 H new ATOM 0 HB2 SER A 38 1.105 -11.668 -8.136 1.00 11.31 H new ATOM 0 HB3 SER A 38 1.425 -10.831 -6.630 1.00 11.31 H new ATOM 0 HG SER A 38 3.317 -11.705 -8.594 1.00 31.43 H new ATOM 608 N ARG A 39 -0.223 -13.965 -6.944 1.00 1.22 N ATOM 609 CA ARG A 39 -1.554 -14.428 -6.570 1.00 51.43 C ATOM 610 C ARG A 39 -1.469 -15.662 -5.676 1.00 23.34 C ATOM 611 O ARG A 39 -1.978 -15.665 -4.556 1.00 71.30 O ATOM 612 CB ARG A 39 -2.376 -14.746 -7.820 1.00 21.33 C ATOM 613 CG ARG A 39 -3.348 -13.644 -8.206 1.00 34.33 C ATOM 614 CD ARG A 39 -4.703 -14.210 -8.604 1.00 22.24 C ATOM 615 NE ARG A 39 -4.676 -14.809 -9.936 1.00 50.11 N ATOM 616 CZ ARG A 39 -4.730 -14.103 -11.060 1.00 71.12 C ATOM 617 NH1 ARG A 39 -4.814 -12.781 -11.013 1.00 60.11 N1+ ATOM 618 NH2 ARG A 39 -4.700 -14.721 -12.234 1.00 71.22 N ATOM 0 H ARG A 39 0.029 -14.146 -7.916 1.00 1.22 H new ATOM 0 HA ARG A 39 -2.046 -13.631 -6.013 1.00 51.43 H new ATOM 0 HB2 ARG A 39 -1.698 -14.929 -8.654 1.00 21.33 H new ATOM 0 HB3 ARG A 39 -2.933 -15.668 -7.654 1.00 21.33 H new ATOM 0 HG2 ARG A 39 -3.471 -12.957 -7.369 1.00 34.33 H new ATOM 0 HG3 ARG A 39 -2.936 -13.067 -9.034 1.00 34.33 H new ATOM 0 HD2 ARG A 39 -5.011 -14.960 -7.875 1.00 22.24 H new ATOM 0 HD3 ARG A 39 -5.449 -13.416 -8.579 1.00 22.24 H new ATOM 0 HE ARG A 39 -4.612 -15.825 -10.007 1.00 50.11 H new ATOM 0 HH11 ARG A 39 -4.837 -12.303 -10.112 1.00 60.11 H new ATOM 0 HH12 ARG A 39 -4.855 -12.242 -11.878 1.00 60.11 H new ATOM 0 HH21 ARG A 39 -4.635 -15.738 -12.273 1.00 71.22 H new ATOM 0 HH22 ARG A 39 -4.741 -14.179 -13.097 1.00 71.22 H new ATOM 632 N GLU A 40 -0.823 -16.709 -6.181 1.00 21.01 N ATOM 633 CA GLU A 40 -0.674 -17.949 -5.429 1.00 41.40 C ATOM 634 C GLU A 40 -0.042 -17.685 -4.065 1.00 14.33 C ATOM 635 O GLU A 40 -0.333 -18.377 -3.089 1.00 73.24 O ATOM 636 CB GLU A 40 0.179 -18.949 -6.213 1.00 61.13 C ATOM 637 CG GLU A 40 -0.308 -20.383 -6.101 1.00 5.33 C ATOM 638 CD GLU A 40 -1.342 -20.732 -7.153 1.00 32.21 C ATOM 639 OE1 GLU A 40 -2.375 -20.033 -7.223 1.00 63.12 O ATOM 640 OE2 GLU A 40 -1.122 -21.705 -7.904 1.00 65.24 O1- ATOM 0 H GLU A 40 -0.395 -16.723 -7.107 1.00 21.01 H new ATOM 0 HA GLU A 40 -1.667 -18.372 -5.275 1.00 41.40 H new ATOM 0 HB2 GLU A 40 0.190 -18.659 -7.264 1.00 61.13 H new ATOM 0 HB3 GLU A 40 1.208 -18.895 -5.856 1.00 61.13 H new ATOM 0 HG2 GLU A 40 0.542 -21.059 -6.194 1.00 5.33 H new ATOM 0 HG3 GLU A 40 -0.735 -20.541 -5.111 1.00 5.33 H new ATOM 647 N LEU A 41 0.825 -16.680 -4.006 1.00 23.05 N ATOM 648 CA LEU A 41 1.500 -16.324 -2.763 1.00 11.20 C ATOM 649 C LEU A 41 0.489 -15.976 -1.675 1.00 74.31 C ATOM 650 O LEU A 41 0.466 -16.600 -0.614 1.00 41.43 O ATOM 651 CB LEU A 41 2.445 -15.143 -2.993 1.00 54.03 C ATOM 652 CG LEU A 41 3.862 -15.496 -3.445 1.00 43.54 C ATOM 653 CD1 LEU A 41 4.577 -14.262 -3.975 1.00 33.10 C ATOM 654 CD2 LEU A 41 4.648 -16.120 -2.301 1.00 71.14 C ATOM 0 H LEU A 41 1.077 -16.097 -4.804 1.00 23.05 H new ATOM 0 HA LEU A 41 2.079 -17.186 -2.433 1.00 11.20 H new ATOM 0 HB2 LEU A 41 1.999 -14.487 -3.741 1.00 54.03 H new ATOM 0 HB3 LEU A 41 2.512 -14.572 -2.067 1.00 54.03 H new ATOM 0 HG LEU A 41 3.793 -16.225 -4.252 1.00 43.54 H new ATOM 0 HD11 LEU A 41 5.584 -14.533 -4.292 1.00 33.10 H new ATOM 0 HD12 LEU A 41 4.026 -13.859 -4.824 1.00 33.10 H new ATOM 0 HD13 LEU A 41 4.634 -13.509 -3.189 1.00 33.10 H new ATOM 0 HD21 LEU A 41 5.654 -16.365 -2.642 1.00 71.14 H new ATOM 0 HD22 LEU A 41 4.707 -15.414 -1.473 1.00 71.14 H new ATOM 0 HD23 LEU A 41 4.147 -17.029 -1.968 1.00 71.14 H new ATOM 666 N GLU A 42 -0.347 -14.979 -1.947 1.00 11.01 N ATOM 667 CA GLU A 42 -1.362 -14.551 -0.991 1.00 43.42 C ATOM 668 C GLU A 42 -2.231 -15.727 -0.557 1.00 2.42 C ATOM 669 O GLU A 42 -2.776 -15.734 0.547 1.00 23.41 O ATOM 670 CB GLU A 42 -2.236 -13.453 -1.600 1.00 32.53 C ATOM 671 CG GLU A 42 -1.976 -12.074 -1.018 1.00 51.14 C ATOM 672 CD GLU A 42 -3.214 -11.459 -0.396 1.00 24.41 C ATOM 673 OE1 GLU A 42 -3.553 -11.833 0.745 1.00 73.33 O1- ATOM 674 OE2 GLU A 42 -3.845 -10.604 -1.053 1.00 32.15 O ATOM 0 H GLU A 42 -0.342 -14.453 -2.821 1.00 11.01 H new ATOM 0 HA GLU A 42 -0.853 -14.155 -0.112 1.00 43.42 H new ATOM 0 HB2 GLU A 42 -2.067 -13.421 -2.676 1.00 32.53 H new ATOM 0 HB3 GLU A 42 -3.285 -13.710 -1.449 1.00 32.53 H new ATOM 0 HG2 GLU A 42 -1.192 -12.144 -0.264 1.00 51.14 H new ATOM 0 HG3 GLU A 42 -1.604 -11.417 -1.804 1.00 51.14 H new ATOM 681 N ARG A 43 -2.355 -16.719 -1.432 1.00 41.51 N ATOM 682 CA ARG A 43 -3.159 -17.899 -1.141 1.00 30.04 C ATOM 683 C ARG A 43 -2.536 -18.716 -0.013 1.00 53.21 C ATOM 684 O ARG A 43 -3.238 -19.384 0.746 1.00 74.53 O ATOM 685 CB ARG A 43 -3.303 -18.766 -2.392 1.00 22.33 C ATOM 686 CG ARG A 43 -4.740 -18.926 -2.861 1.00 75.44 C ATOM 687 CD ARG A 43 -5.544 -19.795 -1.905 1.00 21.45 C ATOM 688 NE ARG A 43 -5.235 -21.213 -2.065 1.00 11.31 N ATOM 689 CZ ARG A 43 -5.626 -22.151 -1.210 1.00 20.33 C ATOM 690 NH1 ARG A 43 -6.339 -21.823 -0.141 1.00 21.01 N1+ ATOM 691 NH2 ARG A 43 -5.306 -23.421 -1.423 1.00 1.31 N ATOM 0 H ARG A 43 -1.908 -16.729 -2.349 1.00 41.51 H new ATOM 0 HA ARG A 43 -4.147 -17.565 -0.823 1.00 30.04 H new ATOM 0 HB2 ARG A 43 -2.714 -18.327 -3.197 1.00 22.33 H new ATOM 0 HB3 ARG A 43 -2.884 -19.752 -2.191 1.00 22.33 H new ATOM 0 HG2 ARG A 43 -5.208 -17.945 -2.944 1.00 75.44 H new ATOM 0 HG3 ARG A 43 -4.752 -19.370 -3.856 1.00 75.44 H new ATOM 0 HD2 ARG A 43 -5.337 -19.492 -0.879 1.00 21.45 H new ATOM 0 HD3 ARG A 43 -6.608 -19.634 -2.076 1.00 21.45 H new ATOM 0 HE ARG A 43 -4.689 -21.499 -2.878 1.00 11.31 H new ATOM 0 HH11 ARG A 43 -6.588 -20.848 0.026 1.00 21.01 H new ATOM 0 HH12 ARG A 43 -6.638 -22.546 0.514 1.00 21.01 H new ATOM 0 HH21 ARG A 43 -4.759 -23.678 -2.244 1.00 1.31 H new ATOM 0 HH22 ARG A 43 -5.607 -24.140 -0.765 1.00 1.31 H new ATOM 705 N PHE A 44 -1.212 -18.659 0.091 1.00 15.12 N ATOM 706 CA PHE A 44 -0.493 -19.395 1.125 1.00 62.41 C ATOM 707 C PHE A 44 -0.213 -18.504 2.331 1.00 53.24 C ATOM 708 O PHE A 44 0.751 -18.719 3.065 1.00 33.00 O ATOM 709 CB PHE A 44 0.820 -19.948 0.569 1.00 44.44 C ATOM 710 CG PHE A 44 0.629 -21.002 -0.483 1.00 1.52 C ATOM 711 CD1 PHE A 44 -0.046 -22.177 -0.191 1.00 42.22 C ATOM 712 CD2 PHE A 44 1.125 -20.820 -1.765 1.00 54.32 C ATOM 713 CE1 PHE A 44 -0.224 -23.150 -1.156 1.00 44.13 C ATOM 714 CE2 PHE A 44 0.949 -21.790 -2.734 1.00 64.02 C ATOM 715 CZ PHE A 44 0.276 -22.956 -2.429 1.00 70.20 C ATOM 0 H PHE A 44 -0.615 -18.111 -0.528 1.00 15.12 H new ATOM 0 HA PHE A 44 -1.121 -20.226 1.447 1.00 62.41 H new ATOM 0 HB2 PHE A 44 1.401 -19.127 0.148 1.00 44.44 H new ATOM 0 HB3 PHE A 44 1.405 -20.366 1.388 1.00 44.44 H new ATOM 0 HD1 PHE A 44 -0.438 -22.334 0.803 1.00 42.22 H new ATOM 0 HD2 PHE A 44 1.654 -19.911 -2.009 1.00 54.32 H new ATOM 0 HE1 PHE A 44 -0.753 -24.060 -0.915 1.00 44.13 H new ATOM 0 HE2 PHE A 44 1.338 -21.636 -3.730 1.00 64.02 H new ATOM 0 HZ PHE A 44 0.141 -23.716 -3.185 1.00 70.20 H new ATOM 725 N ALA A 45 -1.064 -17.501 2.530 1.00 3.25 N ATOM 726 CA ALA A 45 -0.909 -16.578 3.647 1.00 70.31 C ATOM 727 C ALA A 45 0.390 -15.788 3.530 1.00 61.53 C ATOM 728 O ALA A 45 0.901 -15.264 4.519 1.00 14.43 O ATOM 729 CB ALA A 45 -0.952 -17.334 4.966 1.00 62.22 C ATOM 0 H ALA A 45 -1.867 -17.308 1.932 1.00 3.25 H new ATOM 0 HA ALA A 45 -1.738 -15.870 3.619 1.00 70.31 H new ATOM 0 HB1 ALA A 45 -0.835 -16.632 5.792 1.00 62.22 H new ATOM 0 HB2 ALA A 45 -1.909 -17.848 5.060 1.00 62.22 H new ATOM 0 HB3 ALA A 45 -0.143 -18.064 4.993 1.00 62.22 H new ATOM 735 N VAL A 46 0.919 -15.704 2.313 1.00 50.21 N ATOM 736 CA VAL A 46 2.159 -14.977 2.066 1.00 73.15 C ATOM 737 C VAL A 46 1.925 -13.794 1.133 1.00 14.42 C ATOM 738 O VAL A 46 1.433 -13.958 0.018 1.00 11.14 O ATOM 739 CB VAL A 46 3.235 -15.894 1.457 1.00 40.14 C ATOM 740 CG1 VAL A 46 4.501 -15.105 1.159 1.00 43.45 C ATOM 741 CG2 VAL A 46 3.530 -17.060 2.387 1.00 53.31 C ATOM 0 H VAL A 46 0.508 -16.131 1.483 1.00 50.21 H new ATOM 0 HA VAL A 46 2.510 -14.611 3.031 1.00 73.15 H new ATOM 0 HB VAL A 46 2.856 -16.296 0.517 1.00 40.14 H new ATOM 0 HG11 VAL A 46 5.251 -15.769 0.729 1.00 43.45 H new ATOM 0 HG12 VAL A 46 4.274 -14.307 0.452 1.00 43.45 H new ATOM 0 HG13 VAL A 46 4.886 -14.673 2.082 1.00 43.45 H new ATOM 0 HG21 VAL A 46 4.293 -17.698 1.940 1.00 53.31 H new ATOM 0 HG22 VAL A 46 3.889 -16.681 3.344 1.00 53.31 H new ATOM 0 HG23 VAL A 46 2.620 -17.639 2.545 1.00 53.31 H new ATOM 751 N ASN A 47 2.283 -12.601 1.598 1.00 24.13 N ATOM 752 CA ASN A 47 2.113 -11.389 0.804 1.00 11.24 C ATOM 753 C ASN A 47 2.964 -11.444 -0.461 1.00 72.22 C ATOM 754 O ASN A 47 4.077 -11.970 -0.469 1.00 32.00 O ATOM 755 CB ASN A 47 2.486 -10.157 1.630 1.00 73.41 C ATOM 756 CG ASN A 47 1.318 -9.629 2.440 1.00 52.31 C ATOM 757 OD1 ASN A 47 0.157 -9.867 2.106 1.00 50.10 O ATOM 758 ND2 ASN A 47 1.620 -8.908 3.514 1.00 44.42 N ATOM 0 H ASN A 47 2.692 -12.448 2.520 1.00 24.13 H new ATOM 0 HA ASN A 47 1.065 -11.319 0.513 1.00 11.24 H new ATOM 0 HB2 ASN A 47 3.307 -10.408 2.302 1.00 73.41 H new ATOM 0 HB3 ASN A 47 2.847 -9.373 0.965 1.00 73.41 H new ATOM 0 HD21 ASN A 47 0.876 -8.527 4.099 1.00 44.42 H new ATOM 0 HD22 ASN A 47 2.596 -8.735 3.754 1.00 44.42 H new ATOM 765 N PRO A 48 2.430 -10.886 -1.558 1.00 33.23 N ATOM 766 CA PRO A 48 3.122 -10.858 -2.849 1.00 65.11 C ATOM 767 C PRO A 48 4.326 -9.921 -2.841 1.00 54.13 C ATOM 768 O PRO A 48 5.110 -9.893 -3.788 1.00 33.11 O ATOM 769 CB PRO A 48 2.052 -10.343 -3.816 1.00 12.22 C ATOM 770 CG PRO A 48 1.117 -9.558 -2.962 1.00 21.22 C ATOM 771 CD PRO A 48 1.107 -10.241 -1.622 1.00 1.22 C ATOM 0 HA PRO A 48 3.523 -11.836 -3.117 1.00 65.11 H new ATOM 0 HB2 PRO A 48 2.490 -9.722 -4.598 1.00 12.22 H new ATOM 0 HB3 PRO A 48 1.538 -11.166 -4.313 1.00 12.22 H new ATOM 0 HG2 PRO A 48 1.448 -8.523 -2.870 1.00 21.22 H new ATOM 0 HG3 PRO A 48 0.117 -9.536 -3.396 1.00 21.22 H new ATOM 0 HD2 PRO A 48 0.967 -9.529 -0.809 1.00 1.22 H new ATOM 0 HD3 PRO A 48 0.300 -10.970 -1.549 1.00 1.22 H new ATOM 779 N GLY A 49 4.466 -9.155 -1.763 1.00 72.42 N ATOM 780 CA GLY A 49 5.577 -8.227 -1.651 1.00 34.54 C ATOM 781 C GLY A 49 6.851 -8.903 -1.183 1.00 70.25 C ATOM 782 O GLY A 49 7.831 -8.234 -0.852 1.00 1.44 O ATOM 0 H GLY A 49 3.830 -9.160 -0.965 1.00 72.42 H new ATOM 0 HA2 GLY A 49 5.753 -7.757 -2.619 1.00 34.54 H new ATOM 0 HA3 GLY A 49 5.314 -7.432 -0.953 1.00 34.54 H new ATOM 786 N LEU A 50 6.838 -10.231 -1.154 1.00 41.34 N ATOM 787 CA LEU A 50 8.001 -10.998 -0.722 1.00 42.44 C ATOM 788 C LEU A 50 8.767 -11.546 -1.921 1.00 3.35 C ATOM 789 O LEU A 50 9.463 -12.557 -1.817 1.00 43.43 O ATOM 790 CB LEU A 50 7.569 -12.147 0.191 1.00 61.34 C ATOM 791 CG LEU A 50 6.823 -11.748 1.464 1.00 75.43 C ATOM 792 CD1 LEU A 50 6.568 -12.966 2.337 1.00 74.31 C ATOM 793 CD2 LEU A 50 7.607 -10.693 2.234 1.00 21.41 C ATOM 0 H LEU A 50 6.035 -10.799 -1.424 1.00 41.34 H new ATOM 0 HA LEU A 50 8.660 -10.330 -0.167 1.00 42.44 H new ATOM 0 HB2 LEU A 50 6.933 -12.821 -0.383 1.00 61.34 H new ATOM 0 HB3 LEU A 50 8.457 -12.712 0.476 1.00 61.34 H new ATOM 0 HG LEU A 50 5.861 -11.322 1.179 1.00 75.43 H new ATOM 0 HD11 LEU A 50 6.036 -12.662 3.239 1.00 74.31 H new ATOM 0 HD12 LEU A 50 5.966 -13.689 1.786 1.00 74.31 H new ATOM 0 HD13 LEU A 50 7.519 -13.421 2.613 1.00 74.31 H new ATOM 0 HD21 LEU A 50 7.061 -10.421 3.137 1.00 21.41 H new ATOM 0 HD22 LEU A 50 8.584 -11.093 2.507 1.00 21.41 H new ATOM 0 HD23 LEU A 50 7.738 -9.809 1.609 1.00 21.41 H new ATOM 805 N LEU A 51 8.637 -10.872 -3.059 1.00 11.31 N ATOM 806 CA LEU A 51 9.320 -11.291 -4.278 1.00 13.11 C ATOM 807 C LEU A 51 10.328 -10.238 -4.726 1.00 24.11 C ATOM 808 O LEU A 51 11.293 -10.548 -5.424 1.00 62.15 O ATOM 809 CB LEU A 51 8.304 -11.548 -5.392 1.00 22.22 C ATOM 810 CG LEU A 51 7.143 -12.480 -5.041 1.00 54.13 C ATOM 811 CD1 LEU A 51 6.101 -12.476 -6.148 1.00 22.32 C ATOM 812 CD2 LEU A 51 7.650 -13.892 -4.787 1.00 45.24 C ATOM 0 H LEU A 51 8.065 -10.034 -3.163 1.00 11.31 H new ATOM 0 HA LEU A 51 9.858 -12.215 -4.065 1.00 13.11 H new ATOM 0 HB2 LEU A 51 7.891 -10.590 -5.708 1.00 22.22 H new ATOM 0 HB3 LEU A 51 8.833 -11.966 -6.249 1.00 22.22 H new ATOM 0 HG LEU A 51 6.673 -12.115 -4.128 1.00 54.13 H new ATOM 0 HD11 LEU A 51 5.283 -13.145 -5.880 1.00 22.32 H new ATOM 0 HD12 LEU A 51 5.715 -11.465 -6.281 1.00 22.32 H new ATOM 0 HD13 LEU A 51 6.557 -12.815 -7.078 1.00 22.32 H new ATOM 0 HD21 LEU A 51 6.810 -14.541 -4.539 1.00 45.24 H new ATOM 0 HD22 LEU A 51 8.146 -14.267 -5.682 1.00 45.24 H new ATOM 0 HD23 LEU A 51 8.357 -13.881 -3.958 1.00 45.24 H new ATOM 824 N GLU A 52 10.097 -8.993 -4.320 1.00 10.34 N ATOM 825 CA GLU A 52 10.986 -7.896 -4.680 1.00 52.54 C ATOM 826 C GLU A 52 11.988 -7.619 -3.562 1.00 3.33 C ATOM 827 O GLU A 52 12.530 -6.518 -3.456 1.00 72.35 O ATOM 828 CB GLU A 52 10.177 -6.632 -4.979 1.00 11.52 C ATOM 829 CG GLU A 52 9.594 -5.975 -3.739 1.00 21.25 C ATOM 830 CD GLU A 52 8.173 -5.490 -3.951 1.00 62.25 C ATOM 831 OE1 GLU A 52 7.256 -6.338 -3.991 1.00 55.35 O ATOM 832 OE2 GLU A 52 7.977 -4.263 -4.078 1.00 0.01 O1- ATOM 0 H GLU A 52 9.302 -8.720 -3.742 1.00 10.34 H new ATOM 0 HA GLU A 52 11.537 -8.187 -5.575 1.00 52.54 H new ATOM 0 HB2 GLU A 52 10.817 -5.915 -5.493 1.00 11.52 H new ATOM 0 HB3 GLU A 52 9.366 -6.883 -5.662 1.00 11.52 H new ATOM 0 HG2 GLU A 52 9.612 -6.686 -2.913 1.00 21.25 H new ATOM 0 HG3 GLU A 52 10.222 -5.133 -3.449 1.00 21.25 H new ATOM 839 N THR A 53 12.231 -8.626 -2.730 1.00 34.03 N ATOM 840 CA THR A 53 13.165 -8.493 -1.619 1.00 42.21 C ATOM 841 C THR A 53 14.088 -9.702 -1.529 1.00 13.24 C ATOM 842 O THR A 53 13.629 -10.843 -1.471 1.00 1.34 O ATOM 843 CB THR A 53 12.426 -8.324 -0.280 1.00 75.10 C ATOM 844 OG1 THR A 53 11.850 -9.573 0.123 1.00 41.12 O ATOM 845 CG2 THR A 53 11.335 -7.270 -0.392 1.00 31.45 C ATOM 0 H THR A 53 11.793 -9.544 -2.805 1.00 34.03 H new ATOM 0 HA THR A 53 13.759 -7.600 -1.812 1.00 42.21 H new ATOM 0 HB THR A 53 13.148 -7.998 0.469 1.00 75.10 H new ATOM 0 HG1 THR A 53 12.240 -10.299 -0.407 1.00 41.12 H new ATOM 0 HG21 THR A 53 10.827 -7.169 0.567 1.00 31.45 H new ATOM 0 HG22 THR A 53 11.780 -6.314 -0.670 1.00 31.45 H new ATOM 0 HG23 THR A 53 10.616 -7.571 -1.154 1.00 31.45 H new ATOM 853 N SER A 54 15.393 -9.447 -1.515 1.00 23.20 N ATOM 854 CA SER A 54 16.381 -10.515 -1.435 1.00 13.24 C ATOM 855 C SER A 54 16.140 -11.386 -0.205 1.00 21.42 C ATOM 856 O SER A 54 16.519 -12.557 -0.177 1.00 42.33 O ATOM 857 CB SER A 54 17.794 -9.931 -1.390 1.00 61.30 C ATOM 858 OG SER A 54 18.023 -9.243 -0.172 1.00 11.13 O ATOM 0 H SER A 54 15.790 -8.508 -1.558 1.00 23.20 H new ATOM 0 HA SER A 54 16.281 -11.136 -2.325 1.00 13.24 H new ATOM 0 HB2 SER A 54 18.525 -10.731 -1.502 1.00 61.30 H new ATOM 0 HB3 SER A 54 17.936 -9.249 -2.229 1.00 61.30 H new ATOM 0 HG SER A 54 18.934 -8.881 -0.167 1.00 11.13 H new ATOM 864 N GLU A 55 15.505 -10.806 0.809 1.00 44.22 N ATOM 865 CA GLU A 55 15.215 -11.529 2.041 1.00 50.15 C ATOM 866 C GLU A 55 13.952 -12.372 1.892 1.00 22.02 C ATOM 867 O GLU A 55 13.970 -13.581 2.118 1.00 31.45 O ATOM 868 CB GLU A 55 15.053 -10.549 3.206 1.00 21.21 C ATOM 869 CG GLU A 55 16.338 -10.303 3.977 1.00 44.34 C ATOM 870 CD GLU A 55 16.108 -9.545 5.269 1.00 75.00 C ATOM 871 OE1 GLU A 55 14.937 -9.230 5.571 1.00 3.22 O ATOM 872 OE2 GLU A 55 17.097 -9.267 5.979 1.00 74.25 O1- ATOM 0 H GLU A 55 15.182 -9.838 0.801 1.00 44.22 H new ATOM 0 HA GLU A 55 16.053 -12.195 2.248 1.00 50.15 H new ATOM 0 HB2 GLU A 55 14.682 -9.599 2.822 1.00 21.21 H new ATOM 0 HB3 GLU A 55 14.296 -10.933 3.890 1.00 21.21 H new ATOM 0 HG2 GLU A 55 16.812 -11.259 4.201 1.00 44.34 H new ATOM 0 HG3 GLU A 55 17.032 -9.743 3.350 1.00 44.34 H new ATOM 879 N GLY A 56 12.856 -11.723 1.510 1.00 30.31 N ATOM 880 CA GLY A 56 11.599 -12.428 1.339 1.00 24.42 C ATOM 881 C GLY A 56 11.720 -13.608 0.395 1.00 5.32 C ATOM 882 O GLY A 56 11.300 -14.719 0.721 1.00 73.42 O ATOM 0 H GLY A 56 12.816 -10.722 1.316 1.00 30.31 H new ATOM 0 HA2 GLY A 56 11.247 -12.778 2.310 1.00 24.42 H new ATOM 0 HA3 GLY A 56 10.847 -11.737 0.957 1.00 24.42 H new ATOM 886 N CYS A 57 12.294 -13.368 -0.779 1.00 3.45 N ATOM 887 CA CYS A 57 12.468 -14.420 -1.775 1.00 4.54 C ATOM 888 C CYS A 57 13.174 -15.629 -1.171 1.00 15.54 C ATOM 889 O CYS A 57 12.945 -16.766 -1.586 1.00 74.04 O ATOM 890 CB CYS A 57 13.265 -13.893 -2.970 1.00 32.31 C ATOM 891 SG CYS A 57 12.281 -13.663 -4.469 1.00 2.21 S ATOM 0 H CYS A 57 12.647 -12.455 -1.065 1.00 3.45 H new ATOM 0 HA CYS A 57 11.480 -14.731 -2.115 1.00 4.54 H new ATOM 0 HB2 CYS A 57 13.721 -12.941 -2.698 1.00 32.31 H new ATOM 0 HB3 CYS A 57 14.078 -14.586 -3.185 1.00 32.31 H new ATOM 0 HG CYS A 57 12.023 -12.399 -4.629 1.00 2.21 H new ATOM 897 N ARG A 58 14.035 -15.377 -0.190 1.00 21.31 N ATOM 898 CA ARG A 58 14.776 -16.445 0.469 1.00 14.13 C ATOM 899 C ARG A 58 13.879 -17.214 1.435 1.00 54.43 C ATOM 900 O ARG A 58 13.855 -18.444 1.428 1.00 12.51 O ATOM 901 CB ARG A 58 15.979 -15.872 1.220 1.00 41.13 C ATOM 902 CG ARG A 58 17.095 -16.879 1.443 1.00 14.44 C ATOM 903 CD ARG A 58 17.134 -17.357 2.887 1.00 61.53 C ATOM 904 NE ARG A 58 18.363 -18.085 3.190 1.00 62.30 N ATOM 905 CZ ARG A 58 18.770 -18.359 4.424 1.00 71.32 C ATOM 906 NH1 ARG A 58 18.048 -17.968 5.465 1.00 72.32 N1+ ATOM 907 NH2 ARG A 58 19.901 -19.025 4.619 1.00 60.30 N ATOM 0 H ARG A 58 14.236 -14.442 0.166 1.00 21.31 H new ATOM 0 HA ARG A 58 15.130 -17.134 -0.298 1.00 14.13 H new ATOM 0 HB2 ARG A 58 16.374 -15.023 0.662 1.00 41.13 H new ATOM 0 HB3 ARG A 58 15.646 -15.492 2.186 1.00 41.13 H new ATOM 0 HG2 ARG A 58 16.954 -17.732 0.780 1.00 14.44 H new ATOM 0 HG3 ARG A 58 18.052 -16.427 1.182 1.00 14.44 H new ATOM 0 HD2 ARG A 58 17.046 -16.500 3.555 1.00 61.53 H new ATOM 0 HD3 ARG A 58 16.275 -18.000 3.079 1.00 61.53 H new ATOM 0 HE ARG A 58 18.941 -18.400 2.411 1.00 62.30 H new ATOM 0 HH11 ARG A 58 17.178 -17.456 5.319 1.00 72.32 H new ATOM 0 HH12 ARG A 58 18.362 -18.179 6.412 1.00 72.32 H new ATOM 0 HH21 ARG A 58 20.459 -19.327 3.820 1.00 60.30 H new ATOM 0 HH22 ARG A 58 20.212 -19.235 5.567 1.00 60.30 H new ATOM 921 N GLN A 59 13.145 -16.480 2.265 1.00 62.22 N ATOM 922 CA GLN A 59 12.248 -17.092 3.237 1.00 4.33 C ATOM 923 C GLN A 59 11.254 -18.022 2.549 1.00 74.23 C ATOM 924 O GLN A 59 10.986 -19.124 3.029 1.00 70.10 O ATOM 925 CB GLN A 59 11.498 -16.014 4.022 1.00 3.44 C ATOM 926 CG GLN A 59 11.458 -16.269 5.520 1.00 24.12 C ATOM 927 CD GLN A 59 10.206 -17.006 5.953 1.00 72.34 C ATOM 928 OE1 GLN A 59 9.089 -16.526 5.752 1.00 2.42 O ATOM 929 NE2 GLN A 59 10.385 -18.177 6.553 1.00 22.31 N ATOM 0 H GLN A 59 13.154 -15.460 2.283 1.00 62.22 H new ATOM 0 HA GLN A 59 12.850 -17.681 3.929 1.00 4.33 H new ATOM 0 HB2 GLN A 59 11.970 -15.049 3.839 1.00 3.44 H new ATOM 0 HB3 GLN A 59 10.477 -15.947 3.646 1.00 3.44 H new ATOM 0 HG2 GLN A 59 12.335 -16.848 5.810 1.00 24.12 H new ATOM 0 HG3 GLN A 59 11.516 -15.317 6.048 1.00 24.12 H new ATOM 0 HE21 GLN A 59 11.328 -18.536 6.699 1.00 22.31 H new ATOM 0 HE22 GLN A 59 9.579 -18.717 6.868 1.00 22.31 H new ATOM 938 N ILE A 60 10.708 -17.571 1.425 1.00 41.14 N ATOM 939 CA ILE A 60 9.743 -18.362 0.672 1.00 43.45 C ATOM 940 C ILE A 60 10.322 -19.722 0.298 1.00 64.21 C ATOM 941 O ILE A 60 9.618 -20.732 0.308 1.00 13.24 O ATOM 942 CB ILE A 60 9.298 -17.636 -0.610 1.00 63.24 C ATOM 943 CG1 ILE A 60 8.687 -16.276 -0.266 1.00 73.54 C ATOM 944 CG2 ILE A 60 8.305 -18.489 -1.385 1.00 33.11 C ATOM 945 CD1 ILE A 60 8.611 -15.331 -1.445 1.00 2.42 C ATOM 0 H ILE A 60 10.918 -16.661 1.015 1.00 41.14 H new ATOM 0 HA ILE A 60 8.877 -18.503 1.318 1.00 43.45 H new ATOM 0 HB ILE A 60 10.173 -17.471 -1.239 1.00 63.24 H new ATOM 0 HG12 ILE A 60 7.684 -16.428 0.132 1.00 73.54 H new ATOM 0 HG13 ILE A 60 9.277 -15.811 0.524 1.00 73.54 H new ATOM 0 HG21 ILE A 60 8.000 -17.962 -2.289 1.00 33.11 H new ATOM 0 HG22 ILE A 60 8.773 -19.435 -1.657 1.00 33.11 H new ATOM 0 HG23 ILE A 60 7.430 -18.682 -0.765 1.00 33.11 H new ATOM 0 HD11 ILE A 60 8.168 -14.387 -1.127 1.00 2.42 H new ATOM 0 HD12 ILE A 60 9.614 -15.149 -1.831 1.00 2.42 H new ATOM 0 HD13 ILE A 60 7.996 -15.775 -2.228 1.00 2.42 H new ATOM 957 N LEU A 61 11.609 -19.741 -0.033 1.00 15.41 N ATOM 958 CA LEU A 61 12.284 -20.978 -0.409 1.00 15.33 C ATOM 959 C LEU A 61 12.455 -21.894 0.799 1.00 14.50 C ATOM 960 O LEU A 61 12.546 -23.114 0.659 1.00 64.31 O ATOM 961 CB LEU A 61 13.649 -20.670 -1.026 1.00 4.34 C ATOM 962 CG LEU A 61 13.634 -19.819 -2.297 1.00 21.43 C ATOM 963 CD1 LEU A 61 14.986 -19.158 -2.513 1.00 41.14 C ATOM 964 CD2 LEU A 61 13.254 -20.667 -3.503 1.00 11.51 C ATOM 0 H LEU A 61 12.205 -18.914 -0.049 1.00 15.41 H new ATOM 0 HA LEU A 61 11.666 -21.490 -1.146 1.00 15.33 H new ATOM 0 HB2 LEU A 61 14.257 -20.160 -0.278 1.00 4.34 H new ATOM 0 HB3 LEU A 61 14.145 -21.614 -1.251 1.00 4.34 H new ATOM 0 HG LEU A 61 12.885 -19.036 -2.178 1.00 21.43 H new ATOM 0 HD11 LEU A 61 14.956 -18.557 -3.422 1.00 41.14 H new ATOM 0 HD12 LEU A 61 15.218 -18.518 -1.662 1.00 41.14 H new ATOM 0 HD13 LEU A 61 15.754 -19.925 -2.610 1.00 41.14 H new ATOM 0 HD21 LEU A 61 13.248 -20.045 -4.398 1.00 11.51 H new ATOM 0 HD22 LEU A 61 13.979 -21.472 -3.625 1.00 11.51 H new ATOM 0 HD23 LEU A 61 12.262 -21.092 -3.351 1.00 11.51 H new ATOM 976 N GLY A 62 12.497 -21.298 1.987 1.00 72.33 N ATOM 977 CA GLY A 62 12.655 -22.075 3.203 1.00 24.04 C ATOM 978 C GLY A 62 11.436 -22.922 3.511 1.00 2.41 C ATOM 979 O GLY A 62 11.563 -24.065 3.950 1.00 72.40 O ATOM 0 H GLY A 62 12.424 -20.291 2.129 1.00 72.33 H new ATOM 0 HA2 GLY A 62 13.528 -22.721 3.107 1.00 24.04 H new ATOM 0 HA3 GLY A 62 12.847 -21.402 4.039 1.00 24.04 H new ATOM 983 N GLN A 63 10.254 -22.360 3.284 1.00 52.24 N ATOM 984 CA GLN A 63 9.008 -23.071 3.544 1.00 24.13 C ATOM 985 C GLN A 63 8.686 -24.038 2.410 1.00 65.52 C ATOM 986 O GLN A 63 8.144 -25.120 2.636 1.00 20.33 O ATOM 987 CB GLN A 63 7.858 -22.079 3.726 1.00 25.11 C ATOM 988 CG GLN A 63 7.592 -21.715 5.177 1.00 14.40 C ATOM 989 CD GLN A 63 7.088 -22.891 5.991 1.00 34.24 C ATOM 990 OE1 GLN A 63 7.854 -23.545 6.699 1.00 71.03 O ATOM 991 NE2 GLN A 63 5.793 -23.167 5.893 1.00 72.40 N ATOM 0 H GLN A 63 10.133 -21.415 2.921 1.00 52.24 H new ATOM 0 HA GLN A 63 9.132 -23.645 4.462 1.00 24.13 H new ATOM 0 HB2 GLN A 63 8.082 -21.170 3.167 1.00 25.11 H new ATOM 0 HB3 GLN A 63 6.951 -22.504 3.295 1.00 25.11 H new ATOM 0 HG2 GLN A 63 8.509 -21.334 5.626 1.00 14.40 H new ATOM 0 HG3 GLN A 63 6.859 -20.909 5.217 1.00 14.40 H new ATOM 0 HE21 GLN A 63 5.194 -22.598 5.294 1.00 72.40 H new ATOM 0 HE22 GLN A 63 5.397 -23.948 6.417 1.00 72.40 H new ATOM 1000 N LEU A 64 9.022 -23.640 1.186 1.00 54.30 N ATOM 1001 CA LEU A 64 8.769 -24.471 0.015 1.00 62.41 C ATOM 1002 C LEU A 64 9.796 -25.593 -0.089 1.00 43.21 C ATOM 1003 O LEU A 64 9.526 -26.643 -0.672 1.00 55.31 O ATOM 1004 CB LEU A 64 8.795 -23.619 -1.255 1.00 43.25 C ATOM 1005 CG LEU A 64 7.629 -22.647 -1.436 1.00 34.44 C ATOM 1006 CD1 LEU A 64 7.897 -21.702 -2.597 1.00 52.03 C ATOM 1007 CD2 LEU A 64 6.329 -23.409 -1.657 1.00 40.50 C ATOM 0 H LEU A 64 9.470 -22.747 0.980 1.00 54.30 H new ATOM 0 HA LEU A 64 7.781 -24.918 0.124 1.00 62.41 H new ATOM 0 HB2 LEU A 64 9.723 -23.047 -1.266 1.00 43.25 H new ATOM 0 HB3 LEU A 64 8.822 -24.287 -2.116 1.00 43.25 H new ATOM 0 HG LEU A 64 7.531 -22.054 -0.526 1.00 34.44 H new ATOM 0 HD11 LEU A 64 7.056 -21.018 -2.711 1.00 52.03 H new ATOM 0 HD12 LEU A 64 8.805 -21.132 -2.400 1.00 52.03 H new ATOM 0 HD13 LEU A 64 8.022 -22.278 -3.514 1.00 52.03 H new ATOM 0 HD21 LEU A 64 5.510 -22.701 -1.784 1.00 40.50 H new ATOM 0 HD22 LEU A 64 6.417 -24.027 -2.551 1.00 40.50 H new ATOM 0 HD23 LEU A 64 6.129 -24.045 -0.795 1.00 40.50 H new ATOM 1019 N GLN A 65 10.975 -25.364 0.480 1.00 41.04 N ATOM 1020 CA GLN A 65 12.043 -26.356 0.452 1.00 21.13 C ATOM 1021 C GLN A 65 11.543 -27.707 0.951 1.00 3.42 C ATOM 1022 O GLN A 65 11.547 -28.704 0.228 1.00 72.34 O ATOM 1023 CB GLN A 65 13.225 -25.889 1.303 1.00 74.30 C ATOM 1024 CG GLN A 65 14.389 -25.353 0.486 1.00 54.50 C ATOM 1025 CD GLN A 65 15.185 -26.455 -0.188 1.00 54.05 C ATOM 1026 OE1 GLN A 65 14.676 -27.551 -0.420 1.00 33.54 O ATOM 1027 NE2 GLN A 65 16.442 -26.168 -0.505 1.00 72.23 N ATOM 0 H GLN A 65 11.215 -24.500 0.966 1.00 41.04 H new ATOM 0 HA GLN A 65 12.372 -26.470 -0.581 1.00 21.13 H new ATOM 0 HB2 GLN A 65 12.884 -25.112 1.988 1.00 74.30 H new ATOM 0 HB3 GLN A 65 13.574 -26.722 1.914 1.00 74.30 H new ATOM 0 HG2 GLN A 65 14.011 -24.667 -0.272 1.00 54.50 H new ATOM 0 HG3 GLN A 65 15.049 -24.778 1.135 1.00 54.50 H new ATOM 0 HE21 GLN A 65 16.823 -25.246 -0.294 1.00 72.23 H new ATOM 0 HE22 GLN A 65 17.026 -26.870 -0.960 1.00 72.23 H new ATOM 1036 N PRO A 66 11.104 -27.745 2.218 1.00 12.31 N ATOM 1037 CA PRO A 66 10.593 -28.969 2.843 1.00 2.00 C ATOM 1038 C PRO A 66 9.251 -29.399 2.261 1.00 2.55 C ATOM 1039 O PRO A 66 8.824 -30.541 2.437 1.00 45.52 O ATOM 1040 CB PRO A 66 10.437 -28.578 4.314 1.00 62.34 C ATOM 1041 CG PRO A 66 10.255 -27.099 4.296 1.00 42.42 C ATOM 1042 CD PRO A 66 11.072 -26.595 3.137 1.00 35.14 C ATOM 0 HA PRO A 66 11.258 -29.817 2.682 1.00 2.00 H new ATOM 0 HB2 PRO A 66 9.580 -29.077 4.767 1.00 62.34 H new ATOM 0 HB3 PRO A 66 11.315 -28.862 4.894 1.00 62.34 H new ATOM 0 HG2 PRO A 66 9.204 -26.837 4.176 1.00 42.42 H new ATOM 0 HG3 PRO A 66 10.590 -26.653 5.233 1.00 42.42 H new ATOM 0 HD2 PRO A 66 10.614 -25.722 2.672 1.00 35.14 H new ATOM 0 HD3 PRO A 66 12.074 -26.302 3.449 1.00 35.14 H new ATOM 1050 N SER A 67 8.589 -28.479 1.567 1.00 11.11 N ATOM 1051 CA SER A 67 7.293 -28.764 0.962 1.00 42.11 C ATOM 1052 C SER A 67 7.464 -29.455 -0.388 1.00 53.22 C ATOM 1053 O SER A 67 6.587 -30.196 -0.834 1.00 2.25 O ATOM 1054 CB SER A 67 6.493 -27.471 0.788 1.00 53.40 C ATOM 1055 OG SER A 67 5.280 -27.520 1.519 1.00 14.02 O ATOM 0 H SER A 67 8.928 -27.530 1.410 1.00 11.11 H new ATOM 0 HA SER A 67 6.748 -29.434 1.627 1.00 42.11 H new ATOM 0 HB2 SER A 67 7.089 -26.623 1.123 1.00 53.40 H new ATOM 0 HB3 SER A 67 6.278 -27.312 -0.269 1.00 53.40 H new ATOM 0 HG SER A 67 4.788 -26.682 1.393 1.00 14.02 H new ATOM 1061 N LEU A 68 8.597 -29.206 -1.034 1.00 11.31 N ATOM 1062 CA LEU A 68 8.884 -29.803 -2.333 1.00 2.42 C ATOM 1063 C LEU A 68 8.700 -31.317 -2.289 1.00 42.41 C ATOM 1064 O LEU A 68 8.254 -31.925 -3.262 1.00 53.52 O ATOM 1065 CB LEU A 68 10.312 -29.464 -2.767 1.00 5.14 C ATOM 1066 CG LEU A 68 10.519 -28.071 -3.363 1.00 23.43 C ATOM 1067 CD1 LEU A 68 11.971 -27.642 -3.223 1.00 63.52 C ATOM 1068 CD2 LEU A 68 10.092 -28.047 -4.824 1.00 52.20 C ATOM 0 H LEU A 68 9.332 -28.594 -0.679 1.00 11.31 H new ATOM 0 HA LEU A 68 8.182 -29.391 -3.058 1.00 2.42 H new ATOM 0 HB2 LEU A 68 10.968 -29.569 -1.903 1.00 5.14 H new ATOM 0 HB3 LEU A 68 10.632 -30.203 -3.501 1.00 5.14 H new ATOM 0 HG LEU A 68 9.898 -27.365 -2.812 1.00 23.43 H new ATOM 0 HD11 LEU A 68 12.100 -26.649 -3.652 1.00 63.52 H new ATOM 0 HD12 LEU A 68 12.244 -27.619 -2.168 1.00 63.52 H new ATOM 0 HD13 LEU A 68 12.612 -28.350 -3.748 1.00 63.52 H new ATOM 0 HD21 LEU A 68 10.246 -27.048 -5.232 1.00 52.20 H new ATOM 0 HD22 LEU A 68 10.686 -28.765 -5.389 1.00 52.20 H new ATOM 0 HD23 LEU A 68 9.037 -28.311 -4.899 1.00 52.20 H new ATOM 1080 N GLN A 69 9.045 -31.918 -1.155 1.00 52.43 N ATOM 1081 CA GLN A 69 8.916 -33.360 -0.984 1.00 41.12 C ATOM 1082 C GLN A 69 7.489 -33.816 -1.271 1.00 32.33 C ATOM 1083 O GLN A 69 7.263 -34.708 -2.090 1.00 12.31 O ATOM 1084 CB GLN A 69 9.318 -33.765 0.435 1.00 73.25 C ATOM 1085 CG GLN A 69 9.312 -35.267 0.663 1.00 34.15 C ATOM 1086 CD GLN A 69 10.242 -35.691 1.783 1.00 10.23 C ATOM 1087 OE1 GLN A 69 9.925 -35.533 2.962 1.00 1.14 O ATOM 1088 NE2 GLN A 69 11.397 -36.235 1.419 1.00 3.32 N ATOM 0 H GLN A 69 9.416 -31.428 -0.341 1.00 52.43 H new ATOM 0 HA GLN A 69 9.584 -33.846 -1.695 1.00 41.12 H new ATOM 0 HB2 GLN A 69 10.315 -33.378 0.646 1.00 73.25 H new ATOM 0 HB3 GLN A 69 8.637 -33.295 1.145 1.00 73.25 H new ATOM 0 HG2 GLN A 69 8.298 -35.591 0.896 1.00 34.15 H new ATOM 0 HG3 GLN A 69 9.605 -35.772 -0.258 1.00 34.15 H new ATOM 0 HE21 GLN A 69 11.619 -36.347 0.430 1.00 3.32 H new ATOM 0 HE22 GLN A 69 12.063 -36.541 2.129 1.00 3.32 H new ATOM 1097 N THR A 70 6.527 -33.198 -0.592 1.00 1.13 N ATOM 1098 CA THR A 70 5.122 -33.542 -0.773 1.00 41.11 C ATOM 1099 C THR A 70 4.365 -32.414 -1.463 1.00 52.41 C ATOM 1100 O THR A 70 3.221 -32.120 -1.120 1.00 34.15 O ATOM 1101 CB THR A 70 4.442 -33.853 0.574 1.00 14.44 C ATOM 1102 OG1 THR A 70 5.333 -34.597 1.412 1.00 4.43 O ATOM 1103 CG2 THR A 70 3.159 -34.642 0.362 1.00 54.41 C ATOM 0 H THR A 70 6.696 -32.457 0.088 1.00 1.13 H new ATOM 0 HA THR A 70 5.093 -34.433 -1.401 1.00 41.11 H new ATOM 0 HB THR A 70 4.193 -32.908 1.058 1.00 14.44 H new ATOM 0 HG1 THR A 70 4.894 -34.789 2.267 1.00 4.43 H new ATOM 0 HG21 THR A 70 2.696 -34.850 1.327 1.00 54.41 H new ATOM 0 HG22 THR A 70 2.472 -34.060 -0.252 1.00 54.41 H new ATOM 0 HG23 THR A 70 3.389 -35.582 -0.141 1.00 54.41 H new ATOM 1111 N GLY A 71 5.012 -31.783 -2.439 1.00 74.13 N ATOM 1112 CA GLY A 71 4.383 -30.693 -3.162 1.00 35.23 C ATOM 1113 C GLY A 71 3.795 -31.140 -4.486 1.00 74.23 C ATOM 1114 O GLY A 71 4.082 -32.237 -4.962 1.00 15.31 O ATOM 0 H GLY A 71 5.960 -32.007 -2.741 1.00 74.13 H new ATOM 0 HA2 GLY A 71 3.595 -30.259 -2.546 1.00 35.23 H new ATOM 0 HA3 GLY A 71 5.117 -29.908 -3.341 1.00 35.23 H new ATOM 1118 N SER A 72 2.967 -30.287 -5.082 1.00 42.41 N ATOM 1119 CA SER A 72 2.333 -30.602 -6.357 1.00 74.23 C ATOM 1120 C SER A 72 2.865 -29.700 -7.466 1.00 71.14 C ATOM 1121 O SER A 72 3.824 -28.956 -7.268 1.00 2.20 O ATOM 1122 CB SER A 72 0.814 -30.451 -6.245 1.00 31.52 C ATOM 1123 OG SER A 72 0.433 -29.086 -6.273 1.00 5.34 O ATOM 0 H SER A 72 2.720 -29.373 -4.702 1.00 42.41 H new ATOM 0 HA SER A 72 2.571 -31.635 -6.608 1.00 74.23 H new ATOM 0 HB2 SER A 72 0.331 -30.983 -7.065 1.00 31.52 H new ATOM 0 HB3 SER A 72 0.467 -30.910 -5.319 1.00 31.52 H new ATOM 0 HG SER A 72 -0.542 -29.017 -6.202 1.00 5.34 H new ATOM 1129 N GLU A 73 2.233 -29.772 -8.634 1.00 15.43 N ATOM 1130 CA GLU A 73 2.643 -28.963 -9.774 1.00 5.41 C ATOM 1131 C GLU A 73 2.662 -27.481 -9.412 1.00 63.31 C ATOM 1132 O GLU A 73 3.421 -26.701 -9.986 1.00 62.41 O ATOM 1133 CB GLU A 73 1.703 -29.198 -10.959 1.00 21.11 C ATOM 1134 CG GLU A 73 0.333 -28.565 -10.783 1.00 23.11 C ATOM 1135 CD GLU A 73 -0.710 -29.166 -11.706 1.00 31.04 C ATOM 1136 OE1 GLU A 73 -0.560 -29.031 -12.938 1.00 71.53 O1- ATOM 1137 OE2 GLU A 73 -1.675 -29.772 -11.194 1.00 1.00 O ATOM 0 H GLU A 73 1.436 -30.382 -8.814 1.00 15.43 H new ATOM 0 HA GLU A 73 3.653 -29.263 -10.055 1.00 5.41 H new ATOM 0 HB2 GLU A 73 2.165 -28.800 -11.863 1.00 21.11 H new ATOM 0 HB3 GLU A 73 1.582 -30.271 -11.109 1.00 21.11 H new ATOM 0 HG2 GLU A 73 0.011 -28.686 -9.749 1.00 23.11 H new ATOM 0 HG3 GLU A 73 0.405 -27.494 -10.971 1.00 23.11 H new ATOM 1144 N GLU A 74 1.820 -27.101 -8.456 1.00 31.43 N ATOM 1145 CA GLU A 74 1.738 -25.713 -8.019 1.00 42.34 C ATOM 1146 C GLU A 74 3.005 -25.301 -7.274 1.00 14.44 C ATOM 1147 O GLU A 74 3.600 -24.262 -7.563 1.00 53.41 O ATOM 1148 CB GLU A 74 0.517 -25.508 -7.121 1.00 75.53 C ATOM 1149 CG GLU A 74 -0.784 -25.988 -7.743 1.00 4.13 C ATOM 1150 CD GLU A 74 -2.004 -25.553 -6.954 1.00 43.44 C ATOM 1151 OE1 GLU A 74 -2.301 -24.340 -6.940 1.00 3.43 O1- ATOM 1152 OE2 GLU A 74 -2.661 -26.426 -6.352 1.00 73.11 O ATOM 0 H GLU A 74 1.186 -27.735 -7.970 1.00 31.43 H new ATOM 0 HA GLU A 74 1.637 -25.086 -8.905 1.00 42.34 H new ATOM 0 HB2 GLU A 74 0.676 -26.035 -6.180 1.00 75.53 H new ATOM 0 HB3 GLU A 74 0.426 -24.448 -6.882 1.00 75.53 H new ATOM 0 HG2 GLU A 74 -0.859 -25.605 -8.761 1.00 4.13 H new ATOM 0 HG3 GLU A 74 -0.770 -27.076 -7.812 1.00 4.13 H new ATOM 1159 N LEU A 75 3.412 -26.124 -6.314 1.00 1.51 N ATOM 1160 CA LEU A 75 4.609 -25.848 -5.526 1.00 52.41 C ATOM 1161 C LEU A 75 5.838 -25.733 -6.423 1.00 55.11 C ATOM 1162 O LEU A 75 6.756 -24.966 -6.137 1.00 44.32 O ATOM 1163 CB LEU A 75 4.824 -26.948 -4.485 1.00 25.24 C ATOM 1164 CG LEU A 75 5.148 -26.477 -3.067 1.00 12.20 C ATOM 1165 CD1 LEU A 75 4.363 -27.285 -2.044 1.00 44.12 C ATOM 1166 CD2 LEU A 75 6.642 -26.582 -2.799 1.00 71.10 C ATOM 0 H LEU A 75 2.931 -26.988 -6.062 1.00 1.51 H new ATOM 0 HA LEU A 75 4.465 -24.896 -5.015 1.00 52.41 H new ATOM 0 HB2 LEU A 75 3.925 -27.563 -4.445 1.00 25.24 H new ATOM 0 HB3 LEU A 75 5.635 -27.590 -4.827 1.00 25.24 H new ATOM 0 HG LEU A 75 4.855 -25.431 -2.976 1.00 12.20 H new ATOM 0 HD11 LEU A 75 4.606 -26.936 -1.040 1.00 44.12 H new ATOM 0 HD12 LEU A 75 3.295 -27.159 -2.223 1.00 44.12 H new ATOM 0 HD13 LEU A 75 4.625 -28.339 -2.135 1.00 44.12 H new ATOM 0 HD21 LEU A 75 6.855 -26.243 -1.785 1.00 71.10 H new ATOM 0 HD22 LEU A 75 6.959 -27.619 -2.909 1.00 71.10 H new ATOM 0 HD23 LEU A 75 7.184 -25.960 -3.511 1.00 71.10 H new ATOM 1178 N ARG A 76 5.845 -26.501 -7.508 1.00 62.44 N ATOM 1179 CA ARG A 76 6.959 -26.484 -8.447 1.00 44.51 C ATOM 1180 C ARG A 76 7.121 -25.102 -9.075 1.00 32.23 C ATOM 1181 O ARG A 76 8.179 -24.481 -8.970 1.00 32.34 O ATOM 1182 CB ARG A 76 6.748 -27.532 -9.541 1.00 64.05 C ATOM 1183 CG ARG A 76 7.422 -28.863 -9.248 1.00 73.50 C ATOM 1184 CD ARG A 76 6.416 -30.003 -9.223 1.00 42.11 C ATOM 1185 NE ARG A 76 7.053 -31.289 -8.954 1.00 10.43 N ATOM 1186 CZ ARG A 76 6.383 -32.384 -8.610 1.00 52.05 C ATOM 1187 NH1 ARG A 76 5.063 -32.348 -8.495 1.00 72.02 N1+ ATOM 1188 NH2 ARG A 76 7.034 -33.517 -8.381 1.00 61.24 N ATOM 0 H ARG A 76 5.092 -27.142 -7.758 1.00 62.44 H new ATOM 0 HA ARG A 76 7.869 -26.722 -7.896 1.00 44.51 H new ATOM 0 HB2 ARG A 76 5.679 -27.697 -9.673 1.00 64.05 H new ATOM 0 HB3 ARG A 76 7.129 -27.142 -10.485 1.00 64.05 H new ATOM 0 HG2 ARG A 76 8.181 -29.062 -10.005 1.00 73.50 H new ATOM 0 HG3 ARG A 76 7.936 -28.808 -8.288 1.00 73.50 H new ATOM 0 HD2 ARG A 76 5.663 -29.805 -8.460 1.00 42.11 H new ATOM 0 HD3 ARG A 76 5.896 -30.049 -10.180 1.00 42.11 H new ATOM 0 HE ARG A 76 8.068 -31.350 -9.035 1.00 10.43 H new ATOM 0 HH11 ARG A 76 4.559 -31.479 -8.671 1.00 72.02 H new ATOM 0 HH12 ARG A 76 4.551 -33.190 -8.231 1.00 72.02 H new ATOM 0 HH21 ARG A 76 8.050 -33.548 -8.469 1.00 61.24 H new ATOM 0 HH22 ARG A 76 6.519 -34.357 -8.117 1.00 61.24 H new ATOM 1202 N SER A 77 6.065 -24.629 -9.730 1.00 42.45 N ATOM 1203 CA SER A 77 6.091 -23.323 -10.378 1.00 23.23 C ATOM 1204 C SER A 77 6.550 -22.242 -9.406 1.00 53.31 C ATOM 1205 O SER A 77 7.225 -21.287 -9.793 1.00 21.04 O ATOM 1206 CB SER A 77 4.706 -22.976 -10.929 1.00 1.43 C ATOM 1207 OG SER A 77 4.435 -23.697 -12.118 1.00 35.13 O ATOM 0 H SER A 77 5.182 -25.130 -9.826 1.00 42.45 H new ATOM 0 HA SER A 77 6.802 -23.369 -11.203 1.00 23.23 H new ATOM 0 HB2 SER A 77 3.946 -23.203 -10.181 1.00 1.43 H new ATOM 0 HB3 SER A 77 4.648 -21.906 -11.128 1.00 1.43 H new ATOM 0 HG SER A 77 3.544 -23.459 -12.449 1.00 35.13 H new ATOM 1213 N LEU A 78 6.179 -22.398 -8.139 1.00 64.24 N ATOM 1214 CA LEU A 78 6.552 -21.435 -7.109 1.00 31.20 C ATOM 1215 C LEU A 78 8.054 -21.476 -6.843 1.00 72.30 C ATOM 1216 O LEU A 78 8.773 -20.522 -7.139 1.00 52.03 O ATOM 1217 CB LEU A 78 5.786 -21.721 -5.816 1.00 75.21 C ATOM 1218 CG LEU A 78 4.742 -20.679 -5.411 1.00 52.50 C ATOM 1219 CD1 LEU A 78 3.714 -20.494 -6.515 1.00 1.34 C ATOM 1220 CD2 LEU A 78 4.064 -21.082 -4.109 1.00 23.30 C ATOM 0 H LEU A 78 5.621 -23.182 -7.801 1.00 64.24 H new ATOM 0 HA LEU A 78 6.292 -20.439 -7.466 1.00 31.20 H new ATOM 0 HB2 LEU A 78 5.288 -22.685 -5.918 1.00 75.21 H new ATOM 0 HB3 LEU A 78 6.507 -21.819 -5.004 1.00 75.21 H new ATOM 0 HG LEU A 78 5.249 -19.727 -5.254 1.00 52.50 H new ATOM 0 HD11 LEU A 78 2.980 -19.749 -6.208 1.00 1.34 H new ATOM 0 HD12 LEU A 78 4.213 -20.159 -7.424 1.00 1.34 H new ATOM 0 HD13 LEU A 78 3.211 -21.442 -6.706 1.00 1.34 H new ATOM 0 HD21 LEU A 78 3.324 -20.329 -3.836 1.00 23.30 H new ATOM 0 HD22 LEU A 78 3.571 -22.045 -4.239 1.00 23.30 H new ATOM 0 HD23 LEU A 78 4.811 -21.160 -3.319 1.00 23.30 H new ATOM 1232 N TYR A 79 8.520 -22.588 -6.286 1.00 31.01 N ATOM 1233 CA TYR A 79 9.937 -22.754 -5.981 1.00 75.14 C ATOM 1234 C TYR A 79 10.796 -22.455 -7.204 1.00 23.15 C ATOM 1235 O TYR A 79 11.934 -22.002 -7.083 1.00 34.25 O ATOM 1236 CB TYR A 79 10.210 -24.174 -5.485 1.00 13.35 C ATOM 1237 CG TYR A 79 11.471 -24.295 -4.660 1.00 34.14 C ATOM 1238 CD1 TYR A 79 11.547 -23.742 -3.388 1.00 55.31 C ATOM 1239 CD2 TYR A 79 12.585 -24.963 -5.151 1.00 42.44 C ATOM 1240 CE1 TYR A 79 12.697 -23.849 -2.629 1.00 61.10 C ATOM 1241 CE2 TYR A 79 13.739 -25.076 -4.400 1.00 11.11 C ATOM 1242 CZ TYR A 79 13.791 -24.518 -3.140 1.00 53.04 C ATOM 1243 OH TYR A 79 14.938 -24.628 -2.389 1.00 73.12 O ATOM 0 H TYR A 79 7.938 -23.388 -6.036 1.00 31.01 H new ATOM 0 HA TYR A 79 10.199 -22.046 -5.195 1.00 75.14 H new ATOM 0 HB2 TYR A 79 9.362 -24.511 -4.889 1.00 13.35 H new ATOM 0 HB3 TYR A 79 10.282 -24.842 -6.343 1.00 13.35 H new ATOM 0 HD1 TYR A 79 10.692 -23.219 -2.985 1.00 55.31 H new ATOM 0 HD2 TYR A 79 12.549 -25.402 -6.137 1.00 42.44 H new ATOM 0 HE1 TYR A 79 12.739 -23.412 -1.642 1.00 61.10 H new ATOM 0 HE2 TYR A 79 14.596 -25.599 -4.798 1.00 11.11 H new ATOM 0 HH TYR A 79 15.613 -25.129 -2.894 1.00 73.12 H new ATOM 1253 N ASN A 80 10.243 -22.712 -8.385 1.00 11.25 N ATOM 1254 CA ASN A 80 10.958 -22.472 -9.634 1.00 72.25 C ATOM 1255 C ASN A 80 11.076 -20.976 -9.914 1.00 14.23 C ATOM 1256 O ASN A 80 12.162 -20.470 -10.195 1.00 41.12 O ATOM 1257 CB ASN A 80 10.244 -23.165 -10.796 1.00 42.34 C ATOM 1258 CG ASN A 80 10.669 -24.612 -10.954 1.00 22.32 C ATOM 1259 OD1 ASN A 80 11.201 -25.220 -10.025 1.00 1.02 O ATOM 1260 ND2 ASN A 80 10.434 -25.172 -12.135 1.00 70.55 N ATOM 0 H ASN A 80 9.302 -23.087 -8.504 1.00 11.25 H new ATOM 0 HA ASN A 80 11.962 -22.886 -9.535 1.00 72.25 H new ATOM 0 HB2 ASN A 80 9.167 -23.121 -10.635 1.00 42.34 H new ATOM 0 HB3 ASN A 80 10.451 -22.625 -11.720 1.00 42.34 H new ATOM 0 HD21 ASN A 80 10.697 -26.144 -12.300 1.00 70.55 H new ATOM 0 HD22 ASN A 80 9.991 -24.631 -12.877 1.00 70.55 H new ATOM 1267 N THR A 81 9.950 -20.275 -9.833 1.00 61.42 N ATOM 1268 CA THR A 81 9.926 -18.838 -10.078 1.00 41.11 C ATOM 1269 C THR A 81 10.673 -18.081 -8.985 1.00 24.30 C ATOM 1270 O THR A 81 11.607 -17.330 -9.266 1.00 73.24 O ATOM 1271 CB THR A 81 8.483 -18.306 -10.161 1.00 30.31 C ATOM 1272 OG1 THR A 81 7.724 -19.089 -11.090 1.00 10.32 O ATOM 1273 CG2 THR A 81 8.468 -16.846 -10.589 1.00 2.02 C ATOM 0 H THR A 81 9.043 -20.679 -9.600 1.00 61.42 H new ATOM 0 HA THR A 81 10.422 -18.672 -11.035 1.00 41.11 H new ATOM 0 HB THR A 81 8.034 -18.382 -9.171 1.00 30.31 H new ATOM 0 HG1 THR A 81 7.202 -19.760 -10.602 1.00 10.32 H new ATOM 0 HG21 THR A 81 7.438 -16.493 -10.641 1.00 2.02 H new ATOM 0 HG22 THR A 81 9.021 -16.249 -9.864 1.00 2.02 H new ATOM 0 HG23 THR A 81 8.934 -16.749 -11.570 1.00 2.02 H new ATOM 1281 N ILE A 82 10.255 -18.285 -7.741 1.00 55.44 N ATOM 1282 CA ILE A 82 10.887 -17.623 -6.606 1.00 22.33 C ATOM 1283 C ILE A 82 12.398 -17.821 -6.625 1.00 42.41 C ATOM 1284 O ILE A 82 13.153 -16.971 -6.153 1.00 72.32 O ATOM 1285 CB ILE A 82 10.328 -18.144 -5.268 1.00 45.41 C ATOM 1286 CG1 ILE A 82 8.815 -17.928 -5.203 1.00 52.42 C ATOM 1287 CG2 ILE A 82 11.019 -17.453 -4.102 1.00 33.42 C ATOM 1288 CD1 ILE A 82 8.054 -19.133 -4.696 1.00 12.44 C ATOM 0 H ILE A 82 9.482 -18.903 -7.493 1.00 55.44 H new ATOM 0 HA ILE A 82 10.662 -16.560 -6.695 1.00 22.33 H new ATOM 0 HB ILE A 82 10.525 -19.214 -5.200 1.00 45.41 H new ATOM 0 HG12 ILE A 82 8.605 -17.077 -4.555 1.00 52.42 H new ATOM 0 HG13 ILE A 82 8.450 -17.670 -6.197 1.00 52.42 H new ATOM 0 HG21 ILE A 82 10.614 -17.831 -3.163 1.00 33.42 H new ATOM 0 HG22 ILE A 82 12.090 -17.654 -4.142 1.00 33.42 H new ATOM 0 HG23 ILE A 82 10.849 -16.378 -4.164 1.00 33.42 H new ATOM 0 HD11 ILE A 82 6.988 -18.908 -4.676 1.00 12.44 H new ATOM 0 HD12 ILE A 82 8.234 -19.981 -5.356 1.00 12.44 H new ATOM 0 HD13 ILE A 82 8.391 -19.379 -3.689 1.00 12.44 H new ATOM 1300 N ALA A 83 12.835 -18.949 -7.177 1.00 14.40 N ATOM 1301 CA ALA A 83 14.257 -19.258 -7.261 1.00 70.42 C ATOM 1302 C ALA A 83 14.965 -18.321 -8.235 1.00 12.33 C ATOM 1303 O ALA A 83 15.874 -17.584 -7.853 1.00 3.11 O ATOM 1304 CB ALA A 83 14.459 -20.707 -7.678 1.00 62.11 C ATOM 0 H ALA A 83 12.224 -19.664 -7.573 1.00 14.40 H new ATOM 0 HA ALA A 83 14.695 -19.112 -6.273 1.00 70.42 H new ATOM 0 HB1 ALA A 83 15.526 -20.923 -7.737 1.00 62.11 H new ATOM 0 HB2 ALA A 83 13.995 -21.365 -6.943 1.00 62.11 H new ATOM 0 HB3 ALA A 83 14.001 -20.872 -8.653 1.00 62.11 H new ATOM 1310 N VAL A 84 14.543 -18.356 -9.494 1.00 24.20 N ATOM 1311 CA VAL A 84 15.136 -17.509 -10.523 1.00 35.13 C ATOM 1312 C VAL A 84 15.156 -16.048 -10.089 1.00 14.13 C ATOM 1313 O VAL A 84 16.108 -15.319 -10.369 1.00 15.23 O ATOM 1314 CB VAL A 84 14.373 -17.627 -11.855 1.00 31.43 C ATOM 1315 CG1 VAL A 84 14.988 -16.715 -12.906 1.00 72.44 C ATOM 1316 CG2 VAL A 84 14.357 -19.071 -12.334 1.00 5.02 C ATOM 0 H VAL A 84 13.793 -18.962 -9.827 1.00 24.20 H new ATOM 0 HA VAL A 84 16.159 -17.856 -10.667 1.00 35.13 H new ATOM 0 HB VAL A 84 13.343 -17.311 -11.692 1.00 31.43 H new ATOM 0 HG11 VAL A 84 14.435 -16.812 -13.840 1.00 72.44 H new ATOM 0 HG12 VAL A 84 14.942 -15.681 -12.563 1.00 72.44 H new ATOM 0 HG13 VAL A 84 16.028 -16.997 -13.069 1.00 72.44 H new ATOM 0 HG21 VAL A 84 13.814 -19.136 -13.277 1.00 5.02 H new ATOM 0 HG22 VAL A 84 15.380 -19.417 -12.481 1.00 5.02 H new ATOM 0 HG23 VAL A 84 13.866 -19.696 -11.588 1.00 5.02 H new ATOM 1326 N LEU A 85 14.100 -15.627 -9.402 1.00 25.22 N ATOM 1327 CA LEU A 85 13.995 -14.251 -8.927 1.00 3.54 C ATOM 1328 C LEU A 85 14.951 -14.003 -7.765 1.00 43.43 C ATOM 1329 O LEU A 85 15.660 -12.996 -7.734 1.00 65.40 O ATOM 1330 CB LEU A 85 12.559 -13.947 -8.496 1.00 14.33 C ATOM 1331 CG LEU A 85 12.109 -12.493 -8.640 1.00 32.20 C ATOM 1332 CD1 LEU A 85 12.025 -12.103 -10.107 1.00 24.10 C ATOM 1333 CD2 LEU A 85 10.769 -12.279 -7.951 1.00 13.14 C ATOM 0 H LEU A 85 13.304 -16.218 -9.161 1.00 25.22 H new ATOM 0 HA LEU A 85 14.269 -13.587 -9.747 1.00 3.54 H new ATOM 0 HB2 LEU A 85 11.885 -14.574 -9.079 1.00 14.33 H new ATOM 0 HB3 LEU A 85 12.444 -14.240 -7.453 1.00 14.33 H new ATOM 0 HG LEU A 85 12.849 -11.854 -8.158 1.00 32.20 H new ATOM 0 HD11 LEU A 85 11.703 -11.065 -10.190 1.00 24.10 H new ATOM 0 HD12 LEU A 85 13.005 -12.217 -10.571 1.00 24.10 H new ATOM 0 HD13 LEU A 85 11.307 -12.747 -10.614 1.00 24.10 H new ATOM 0 HD21 LEU A 85 10.464 -11.239 -8.064 1.00 13.14 H new ATOM 0 HD22 LEU A 85 10.019 -12.928 -8.404 1.00 13.14 H new ATOM 0 HD23 LEU A 85 10.863 -12.517 -6.891 1.00 13.14 H new ATOM 1345 N TYR A 86 14.967 -14.927 -6.811 1.00 74.04 N ATOM 1346 CA TYR A 86 15.835 -14.808 -5.646 1.00 55.32 C ATOM 1347 C TYR A 86 17.285 -14.595 -6.067 1.00 51.33 C ATOM 1348 O TYR A 86 17.939 -13.647 -5.627 1.00 35.43 O ATOM 1349 CB TYR A 86 15.724 -16.058 -4.771 1.00 50.54 C ATOM 1350 CG TYR A 86 16.742 -16.107 -3.653 1.00 23.53 C ATOM 1351 CD1 TYR A 86 16.723 -15.169 -2.629 1.00 53.21 C ATOM 1352 CD2 TYR A 86 17.721 -17.092 -3.622 1.00 4.23 C ATOM 1353 CE1 TYR A 86 17.651 -15.210 -1.607 1.00 54.45 C ATOM 1354 CE2 TYR A 86 18.652 -17.142 -2.603 1.00 52.32 C ATOM 1355 CZ TYR A 86 18.613 -16.198 -1.597 1.00 43.40 C ATOM 1356 OH TYR A 86 19.539 -16.243 -0.579 1.00 62.31 O ATOM 0 H TYR A 86 14.388 -15.767 -6.822 1.00 74.04 H new ATOM 0 HA TYR A 86 15.512 -13.940 -5.071 1.00 55.32 H new ATOM 0 HB2 TYR A 86 14.723 -16.103 -4.342 1.00 50.54 H new ATOM 0 HB3 TYR A 86 15.842 -16.942 -5.398 1.00 50.54 H new ATOM 0 HD1 TYR A 86 15.970 -14.395 -2.632 1.00 53.21 H new ATOM 0 HD2 TYR A 86 17.755 -17.832 -4.408 1.00 4.23 H new ATOM 0 HE1 TYR A 86 17.623 -14.472 -0.819 1.00 54.45 H new ATOM 0 HE2 TYR A 86 19.406 -17.915 -2.593 1.00 52.32 H new ATOM 0 HH TYR A 86 20.145 -17.000 -0.721 1.00 62.31 H new ATOM 1366 N CYS A 87 17.783 -15.481 -6.922 1.00 75.41 N ATOM 1367 CA CYS A 87 19.156 -15.391 -7.404 1.00 72.10 C ATOM 1368 C CYS A 87 19.448 -14.000 -7.958 1.00 53.13 C ATOM 1369 O CYS A 87 20.520 -13.441 -7.726 1.00 73.10 O ATOM 1370 CB CYS A 87 19.410 -16.446 -8.482 1.00 45.43 C ATOM 1371 SG CYS A 87 20.036 -18.018 -7.845 1.00 51.53 S ATOM 0 H CYS A 87 17.256 -16.270 -7.296 1.00 75.41 H new ATOM 0 HA CYS A 87 19.823 -15.574 -6.562 1.00 72.10 H new ATOM 0 HB2 CYS A 87 18.481 -16.629 -9.022 1.00 45.43 H new ATOM 0 HB3 CYS A 87 20.124 -16.048 -9.203 1.00 45.43 H new ATOM 0 HG CYS A 87 20.948 -18.479 -8.648 1.00 51.53 H new ATOM 1377 N VAL A 88 18.489 -13.447 -8.693 1.00 35.24 N ATOM 1378 CA VAL A 88 18.643 -12.122 -9.280 1.00 41.11 C ATOM 1379 C VAL A 88 18.900 -11.072 -8.206 1.00 64.50 C ATOM 1380 O VAL A 88 19.742 -10.189 -8.375 1.00 53.32 O ATOM 1381 CB VAL A 88 17.396 -11.719 -10.090 1.00 24.13 C ATOM 1382 CG1 VAL A 88 17.564 -10.321 -10.668 1.00 14.03 C ATOM 1383 CG2 VAL A 88 17.126 -12.731 -11.192 1.00 4.04 C ATOM 0 H VAL A 88 17.596 -13.897 -8.896 1.00 35.24 H new ATOM 0 HA VAL A 88 19.502 -12.170 -9.949 1.00 41.11 H new ATOM 0 HB VAL A 88 16.537 -11.709 -9.420 1.00 24.13 H new ATOM 0 HG11 VAL A 88 16.674 -10.053 -11.237 1.00 14.03 H new ATOM 0 HG12 VAL A 88 17.705 -9.607 -9.857 1.00 14.03 H new ATOM 0 HG13 VAL A 88 18.434 -10.301 -11.325 1.00 14.03 H new ATOM 0 HG21 VAL A 88 16.242 -12.430 -11.754 1.00 4.04 H new ATOM 0 HG22 VAL A 88 17.984 -12.776 -11.863 1.00 4.04 H new ATOM 0 HG23 VAL A 88 16.959 -13.713 -10.751 1.00 4.04 H new ATOM 1393 N HIS A 89 18.168 -11.172 -7.101 1.00 42.12 N ATOM 1394 CA HIS A 89 18.317 -10.230 -5.996 1.00 24.21 C ATOM 1395 C HIS A 89 19.546 -10.568 -5.157 1.00 25.12 C ATOM 1396 O HIS A 89 19.962 -9.699 -4.391 1.00 10.23 O ATOM 1397 CB HIS A 89 17.067 -10.241 -5.116 1.00 61.35 C ATOM 1398 CG HIS A 89 15.797 -10.010 -5.878 1.00 54.25 C ATOM 1399 ND1 HIS A 89 15.748 -9.320 -7.069 1.00 5.32 N ATOM 1400 CD2 HIS A 89 14.523 -10.382 -5.609 1.00 15.35 C ATOM 1401 CE1 HIS A 89 14.502 -9.277 -7.502 1.00 34.45 C ATOM 1402 NE2 HIS A 89 13.738 -9.917 -6.633 1.00 62.54 N ATOM 0 H HIS A 89 17.466 -11.895 -6.946 1.00 42.12 H new ATOM 0 HA HIS A 89 18.447 -9.233 -6.416 1.00 24.21 H new ATOM 0 HB2 HIS A 89 17.003 -11.200 -4.601 1.00 61.35 H new ATOM 0 HB3 HIS A 89 17.166 -9.473 -4.349 1.00 61.35 H new ATOM 0 HD1 HIS A 89 16.551 -8.906 -7.543 1.00 5.32 H new ATOM 0 HD2 HIS A 89 14.187 -10.941 -4.748 1.00 15.35 H new ATOM 0 HE1 HIS A 89 14.164 -8.801 -8.411 1.00 34.45 H new ATOM 0 HE2 HIS A 89 12.729 -10.044 -6.711 1.00 62.54 H new ATOM 1411 N GLN A 90 20.116 -11.762 -5.278 1.00 30.14 N ATOM 1412 CA GLN A 90 21.291 -12.129 -4.497 1.00 2.53 C ATOM 1413 C GLN A 90 22.567 -11.941 -5.310 1.00 64.43 C ATOM 1414 O GLN A 90 23.577 -12.598 -5.061 1.00 62.11 O ATOM 1415 CB GLN A 90 21.183 -13.581 -4.025 1.00 64.03 C ATOM 1416 CG GLN A 90 21.297 -13.742 -2.518 1.00 62.13 C ATOM 1417 CD GLN A 90 22.638 -14.306 -2.091 1.00 21.33 C ATOM 1418 OE1 GLN A 90 22.833 -15.522 -2.066 1.00 51.24 O ATOM 1419 NE2 GLN A 90 23.570 -13.425 -1.752 1.00 45.42 N ATOM 0 H GLN A 90 19.784 -12.491 -5.909 1.00 30.14 H new ATOM 0 HA GLN A 90 21.336 -11.473 -3.627 1.00 2.53 H new ATOM 0 HB2 GLN A 90 20.228 -13.991 -4.354 1.00 64.03 H new ATOM 0 HB3 GLN A 90 21.965 -14.169 -4.505 1.00 64.03 H new ATOM 0 HG2 GLN A 90 21.146 -12.774 -2.041 1.00 62.13 H new ATOM 0 HG3 GLN A 90 20.502 -14.399 -2.165 1.00 62.13 H new ATOM 0 HE21 GLN A 90 23.365 -12.426 -1.788 1.00 45.42 H new ATOM 0 HE22 GLN A 90 24.492 -13.746 -1.456 1.00 45.42 H new ATOM 1428 N ARG A 91 22.513 -11.038 -6.285 1.00 62.13 N ATOM 1429 CA ARG A 91 23.664 -10.763 -7.136 1.00 4.25 C ATOM 1430 C ARG A 91 24.115 -12.026 -7.864 1.00 1.24 C ATOM 1431 O ARG A 91 25.310 -12.249 -8.058 1.00 2.11 O ATOM 1432 CB ARG A 91 24.818 -10.201 -6.305 1.00 61.21 C ATOM 1433 CG ARG A 91 24.431 -9.000 -5.458 1.00 65.20 C ATOM 1434 CD ARG A 91 25.651 -8.187 -5.053 1.00 73.32 C ATOM 1435 NE ARG A 91 25.344 -7.232 -3.991 1.00 42.12 N ATOM 1436 CZ ARG A 91 26.229 -6.374 -3.497 1.00 72.22 C ATOM 1437 NH1 ARG A 91 27.469 -6.351 -3.965 1.00 64.41 N1+ ATOM 1438 NH2 ARG A 91 25.874 -5.536 -2.532 1.00 53.24 N ATOM 0 H ARG A 91 21.684 -10.485 -6.504 1.00 62.13 H new ATOM 0 HA ARG A 91 23.366 -10.022 -7.878 1.00 4.25 H new ATOM 0 HB2 ARG A 91 25.201 -10.986 -5.653 1.00 61.21 H new ATOM 0 HB3 ARG A 91 25.631 -9.917 -6.973 1.00 61.21 H new ATOM 0 HG2 ARG A 91 23.740 -8.368 -6.016 1.00 65.20 H new ATOM 0 HG3 ARG A 91 23.905 -9.338 -4.565 1.00 65.20 H new ATOM 0 HD2 ARG A 91 26.440 -8.860 -4.718 1.00 73.32 H new ATOM 0 HD3 ARG A 91 26.035 -7.652 -5.922 1.00 73.32 H new ATOM 0 HE ARG A 91 24.399 -7.224 -3.608 1.00 42.12 H new ATOM 0 HH11 ARG A 91 27.746 -6.994 -4.707 1.00 64.41 H new ATOM 0 HH12 ARG A 91 28.146 -5.691 -3.583 1.00 64.41 H new ATOM 0 HH21 ARG A 91 24.921 -5.550 -2.169 1.00 53.24 H new ATOM 0 HH22 ARG A 91 26.554 -4.877 -2.153 1.00 53.24 H new ATOM 1452 N ILE A 92 23.151 -12.849 -8.264 1.00 62.22 N ATOM 1453 CA ILE A 92 23.449 -14.088 -8.971 1.00 41.33 C ATOM 1454 C ILE A 92 22.925 -14.045 -10.402 1.00 34.42 C ATOM 1455 O ILE A 92 21.815 -13.574 -10.653 1.00 75.10 O ATOM 1456 CB ILE A 92 22.843 -15.307 -8.250 1.00 3.33 C ATOM 1457 CG1 ILE A 92 23.198 -15.275 -6.762 1.00 13.21 C ATOM 1458 CG2 ILE A 92 23.334 -16.598 -8.889 1.00 74.43 C ATOM 1459 CD1 ILE A 92 22.623 -16.434 -5.979 1.00 23.12 C ATOM 0 H ILE A 92 22.157 -12.680 -8.110 1.00 62.22 H new ATOM 0 HA ILE A 92 24.534 -14.188 -8.988 1.00 41.33 H new ATOM 0 HB ILE A 92 21.758 -15.266 -8.347 1.00 3.33 H new ATOM 0 HG12 ILE A 92 24.283 -15.278 -6.655 1.00 13.21 H new ATOM 0 HG13 ILE A 92 22.838 -14.341 -6.331 1.00 13.21 H new ATOM 0 HG21 ILE A 92 22.897 -17.450 -8.369 1.00 74.43 H new ATOM 0 HG22 ILE A 92 23.036 -16.621 -9.937 1.00 74.43 H new ATOM 0 HG23 ILE A 92 24.421 -16.648 -8.819 1.00 74.43 H new ATOM 0 HD11 ILE A 92 22.915 -16.346 -4.932 1.00 23.12 H new ATOM 0 HD12 ILE A 92 21.536 -16.421 -6.055 1.00 23.12 H new ATOM 0 HD13 ILE A 92 23.003 -17.371 -6.385 1.00 23.12 H new ATOM 1471 N ASP A 93 23.728 -14.541 -11.336 1.00 53.14 N ATOM 1472 CA ASP A 93 23.343 -14.562 -12.743 1.00 43.41 C ATOM 1473 C ASP A 93 23.278 -15.994 -13.267 1.00 40.41 C ATOM 1474 O ASP A 93 24.303 -16.595 -13.591 1.00 74.31 O ATOM 1475 CB ASP A 93 24.333 -13.746 -13.576 1.00 51.31 C ATOM 1476 CG ASP A 93 23.905 -13.622 -15.025 1.00 5.55 C ATOM 1477 OD1 ASP A 93 22.852 -14.189 -15.383 1.00 72.03 O1- ATOM 1478 OD2 ASP A 93 24.625 -12.960 -15.802 1.00 1.34 O ATOM 0 H ASP A 93 24.650 -14.934 -11.145 1.00 53.14 H new ATOM 0 HA ASP A 93 22.352 -14.117 -12.830 1.00 43.41 H new ATOM 0 HB2 ASP A 93 24.434 -12.751 -13.143 1.00 51.31 H new ATOM 0 HB3 ASP A 93 25.316 -14.215 -13.529 1.00 51.31 H new ATOM 1483 N VAL A 94 22.067 -16.535 -13.345 1.00 74.54 N ATOM 1484 CA VAL A 94 21.867 -17.895 -13.829 1.00 21.43 C ATOM 1485 C VAL A 94 21.260 -17.897 -15.228 1.00 15.02 C ATOM 1486 O VAL A 94 20.894 -16.849 -15.760 1.00 10.42 O ATOM 1487 CB VAL A 94 20.953 -18.699 -12.884 1.00 45.23 C ATOM 1488 CG1 VAL A 94 21.558 -18.770 -11.490 1.00 53.12 C ATOM 1489 CG2 VAL A 94 19.562 -18.086 -12.840 1.00 34.24 C ATOM 0 H VAL A 94 21.209 -16.052 -13.079 1.00 74.54 H new ATOM 0 HA VAL A 94 22.849 -18.367 -13.861 1.00 21.43 H new ATOM 0 HB VAL A 94 20.865 -19.715 -13.268 1.00 45.23 H new ATOM 0 HG11 VAL A 94 20.899 -19.341 -10.836 1.00 53.12 H new ATOM 0 HG12 VAL A 94 22.531 -19.258 -11.540 1.00 53.12 H new ATOM 0 HG13 VAL A 94 21.677 -17.762 -11.093 1.00 53.12 H new ATOM 0 HG21 VAL A 94 18.930 -18.666 -12.168 1.00 34.24 H new ATOM 0 HG22 VAL A 94 19.628 -17.059 -12.480 1.00 34.24 H new ATOM 0 HG23 VAL A 94 19.130 -18.092 -13.841 1.00 34.24 H new ATOM 1499 N LYS A 95 21.155 -19.083 -15.819 1.00 61.35 N ATOM 1500 CA LYS A 95 20.590 -19.224 -17.156 1.00 50.12 C ATOM 1501 C LYS A 95 19.231 -19.913 -17.103 1.00 60.11 C ATOM 1502 O LYS A 95 18.342 -19.618 -17.902 1.00 45.52 O ATOM 1503 CB LYS A 95 21.542 -20.018 -18.053 1.00 51.22 C ATOM 1504 CG LYS A 95 22.291 -19.159 -19.057 1.00 21.45 C ATOM 1505 CD LYS A 95 21.820 -19.422 -20.477 1.00 34.24 C ATOM 1506 CE LYS A 95 22.210 -18.290 -21.414 1.00 75.42 C ATOM 1507 NZ LYS A 95 21.043 -17.783 -22.188 1.00 31.40 N1+ ATOM 0 H LYS A 95 21.454 -19.960 -15.393 1.00 61.35 H new ATOM 0 HA LYS A 95 20.455 -18.226 -17.573 1.00 50.12 H new ATOM 0 HB2 LYS A 95 22.264 -20.543 -17.427 1.00 51.22 H new ATOM 0 HB3 LYS A 95 20.973 -20.777 -18.590 1.00 51.22 H new ATOM 0 HG2 LYS A 95 22.148 -18.106 -18.814 1.00 21.45 H new ATOM 0 HG3 LYS A 95 23.360 -19.361 -18.984 1.00 21.45 H new ATOM 0 HD2 LYS A 95 22.250 -20.357 -20.836 1.00 34.24 H new ATOM 0 HD3 LYS A 95 20.737 -19.545 -20.485 1.00 34.24 H new ATOM 0 HE2 LYS A 95 22.645 -17.474 -20.837 1.00 75.42 H new ATOM 0 HE3 LYS A 95 22.979 -18.638 -22.103 1.00 75.42 H new ATOM 0 HZ1 LYS A 95 21.340 -16.979 -22.777 1.00 31.40 H new ATOM 0 HZ2 LYS A 95 20.675 -18.541 -22.797 1.00 31.40 H new ATOM 0 HZ3 LYS A 95 20.298 -17.474 -21.531 1.00 31.40 H new ATOM 1521 N ASP A 96 19.075 -20.832 -16.156 1.00 51.24 N ATOM 1522 CA ASP A 96 17.823 -21.562 -15.997 1.00 72.42 C ATOM 1523 C ASP A 96 17.478 -21.735 -14.521 1.00 52.23 C ATOM 1524 O ASP A 96 18.315 -21.510 -13.646 1.00 3.32 O ATOM 1525 CB ASP A 96 17.915 -22.930 -16.675 1.00 65.34 C ATOM 1526 CG ASP A 96 19.251 -23.605 -16.438 1.00 43.24 C ATOM 1527 OD1 ASP A 96 19.549 -23.938 -15.272 1.00 2.23 O ATOM 1528 OD2 ASP A 96 19.999 -23.801 -17.418 1.00 42.22 O1- ATOM 0 H ASP A 96 19.801 -21.089 -15.487 1.00 51.24 H new ATOM 0 HA ASP A 96 17.031 -20.982 -16.472 1.00 72.42 H new ATOM 0 HB2 ASP A 96 17.116 -23.571 -16.303 1.00 65.34 H new ATOM 0 HB3 ASP A 96 17.756 -22.812 -17.747 1.00 65.34 H new ATOM 1533 N THR A 97 16.240 -22.134 -14.250 1.00 3.02 N ATOM 1534 CA THR A 97 15.784 -22.335 -12.881 1.00 13.12 C ATOM 1535 C THR A 97 16.554 -23.463 -12.204 1.00 21.02 C ATOM 1536 O THR A 97 16.728 -23.467 -10.985 1.00 11.13 O ATOM 1537 CB THR A 97 14.278 -22.657 -12.832 1.00 50.24 C ATOM 1538 OG1 THR A 97 13.532 -21.611 -13.466 1.00 45.30 O ATOM 1539 CG2 THR A 97 13.806 -22.822 -11.394 1.00 63.25 C ATOM 0 H THR A 97 15.534 -22.325 -14.962 1.00 3.02 H new ATOM 0 HA THR A 97 15.967 -21.402 -12.348 1.00 13.12 H new ATOM 0 HB THR A 97 14.112 -23.595 -13.363 1.00 50.24 H new ATOM 0 HG1 THR A 97 12.987 -21.989 -14.188 1.00 45.30 H new ATOM 0 HG21 THR A 97 12.740 -23.049 -11.385 1.00 63.25 H new ATOM 0 HG22 THR A 97 14.355 -23.637 -10.922 1.00 63.25 H new ATOM 0 HG23 THR A 97 13.985 -21.898 -10.844 1.00 63.25 H new ATOM 1547 N LYS A 98 17.016 -24.420 -13.003 1.00 75.21 N ATOM 1548 CA LYS A 98 17.771 -25.553 -12.481 1.00 21.43 C ATOM 1549 C LYS A 98 19.044 -25.085 -11.784 1.00 43.51 C ATOM 1550 O LYS A 98 19.333 -25.494 -10.661 1.00 12.42 O ATOM 1551 CB LYS A 98 18.123 -26.522 -13.614 1.00 40.13 C ATOM 1552 CG LYS A 98 18.935 -27.721 -13.157 1.00 60.23 C ATOM 1553 CD LYS A 98 20.243 -27.832 -13.923 1.00 1.13 C ATOM 1554 CE LYS A 98 21.109 -28.961 -13.386 1.00 51.33 C ATOM 1555 NZ LYS A 98 21.932 -29.588 -14.456 1.00 63.21 N1+ ATOM 0 H LYS A 98 16.881 -24.433 -14.014 1.00 75.21 H new ATOM 0 HA LYS A 98 17.147 -26.068 -11.750 1.00 21.43 H new ATOM 0 HB2 LYS A 98 17.202 -26.873 -14.080 1.00 40.13 H new ATOM 0 HB3 LYS A 98 18.683 -25.985 -14.380 1.00 40.13 H new ATOM 0 HG2 LYS A 98 19.143 -27.636 -12.090 1.00 60.23 H new ATOM 0 HG3 LYS A 98 18.352 -28.631 -13.297 1.00 60.23 H new ATOM 0 HD2 LYS A 98 20.034 -28.003 -14.979 1.00 1.13 H new ATOM 0 HD3 LYS A 98 20.787 -26.890 -13.854 1.00 1.13 H new ATOM 0 HE2 LYS A 98 21.763 -28.576 -12.604 1.00 51.33 H new ATOM 0 HE3 LYS A 98 20.474 -29.718 -12.926 1.00 51.33 H new ATOM 0 HZ1 LYS A 98 22.507 -30.352 -14.048 1.00 63.21 H new ATOM 0 HZ2 LYS A 98 21.308 -29.978 -15.190 1.00 63.21 H new ATOM 0 HZ3 LYS A 98 22.557 -28.872 -14.878 1.00 63.21 H new ATOM 1569 N GLU A 99 19.800 -24.223 -12.459 1.00 35.04 N ATOM 1570 CA GLU A 99 21.042 -23.700 -11.901 1.00 21.34 C ATOM 1571 C GLU A 99 20.779 -22.935 -10.609 1.00 75.42 C ATOM 1572 O GLU A 99 21.468 -23.128 -9.608 1.00 12.21 O ATOM 1573 CB GLU A 99 21.736 -22.788 -12.916 1.00 52.43 C ATOM 1574 CG GLU A 99 22.745 -23.509 -13.793 1.00 20.43 C ATOM 1575 CD GLU A 99 23.507 -22.566 -14.703 1.00 63.45 C ATOM 1576 OE1 GLU A 99 24.257 -21.715 -14.180 1.00 73.45 O ATOM 1577 OE2 GLU A 99 23.353 -22.678 -15.937 1.00 63.23 O1- ATOM 0 H GLU A 99 19.575 -23.873 -13.390 1.00 35.04 H new ATOM 0 HA GLU A 99 21.694 -24.544 -11.675 1.00 21.34 H new ATOM 0 HB2 GLU A 99 20.981 -22.325 -13.551 1.00 52.43 H new ATOM 0 HB3 GLU A 99 22.241 -21.983 -12.382 1.00 52.43 H new ATOM 0 HG2 GLU A 99 23.451 -24.047 -13.161 1.00 20.43 H new ATOM 0 HG3 GLU A 99 22.228 -24.253 -14.399 1.00 20.43 H new ATOM 1584 N ALA A 100 19.775 -22.063 -10.638 1.00 71.40 N ATOM 1585 CA ALA A 100 19.419 -21.269 -9.469 1.00 32.05 C ATOM 1586 C ALA A 100 19.213 -22.156 -8.244 1.00 62.53 C ATOM 1587 O ALA A 100 19.664 -21.830 -7.146 1.00 64.15 O ATOM 1588 CB ALA A 100 18.165 -20.452 -9.747 1.00 11.11 C ATOM 0 H ALA A 100 19.195 -21.889 -11.459 1.00 71.40 H new ATOM 0 HA ALA A 100 20.244 -20.589 -9.259 1.00 32.05 H new ATOM 0 HB1 ALA A 100 17.911 -19.864 -8.865 1.00 11.11 H new ATOM 0 HB2 ALA A 100 18.345 -19.784 -10.589 1.00 11.11 H new ATOM 0 HB3 ALA A 100 17.340 -21.122 -9.986 1.00 11.11 H new ATOM 1594 N LEU A 101 18.529 -23.277 -8.441 1.00 73.40 N ATOM 1595 CA LEU A 101 18.263 -24.212 -7.352 1.00 60.44 C ATOM 1596 C LEU A 101 19.564 -24.728 -6.748 1.00 52.42 C ATOM 1597 O LEU A 101 19.656 -24.945 -5.539 1.00 22.24 O ATOM 1598 CB LEU A 101 17.419 -25.384 -7.856 1.00 14.44 C ATOM 1599 CG LEU A 101 16.052 -25.027 -8.439 1.00 64.04 C ATOM 1600 CD1 LEU A 101 15.689 -25.977 -9.570 1.00 42.24 C ATOM 1601 CD2 LEU A 101 14.985 -25.053 -7.354 1.00 24.01 C ATOM 0 H LEU A 101 18.148 -23.561 -9.344 1.00 73.40 H new ATOM 0 HA LEU A 101 17.710 -23.682 -6.576 1.00 60.44 H new ATOM 0 HB2 LEU A 101 17.989 -25.914 -8.619 1.00 14.44 H new ATOM 0 HB3 LEU A 101 17.269 -26.079 -7.030 1.00 14.44 H new ATOM 0 HG LEU A 101 16.104 -24.016 -8.844 1.00 64.04 H new ATOM 0 HD11 LEU A 101 14.713 -25.707 -9.973 1.00 42.24 H new ATOM 0 HD12 LEU A 101 16.438 -25.907 -10.358 1.00 42.24 H new ATOM 0 HD13 LEU A 101 15.655 -26.998 -9.191 1.00 42.24 H new ATOM 0 HD21 LEU A 101 14.019 -24.796 -7.788 1.00 24.01 H new ATOM 0 HD22 LEU A 101 14.934 -26.051 -6.918 1.00 24.01 H new ATOM 0 HD23 LEU A 101 15.238 -24.331 -6.578 1.00 24.01 H new ATOM 1613 N ASP A 102 20.568 -24.921 -7.596 1.00 2.42 N ATOM 1614 CA ASP A 102 21.866 -25.409 -7.145 1.00 10.03 C ATOM 1615 C ASP A 102 22.569 -24.366 -6.280 1.00 25.44 C ATOM 1616 O ASP A 102 23.106 -24.683 -5.220 1.00 3.22 O ATOM 1617 CB ASP A 102 22.744 -25.771 -8.345 1.00 12.41 C ATOM 1618 CG ASP A 102 23.817 -26.782 -7.992 1.00 2.14 C ATOM 1619 OD1 ASP A 102 24.914 -26.360 -7.570 1.00 61.15 O1- ATOM 1620 OD2 ASP A 102 23.561 -27.996 -8.139 1.00 30.22 O ATOM 0 H ASP A 102 20.508 -24.747 -8.599 1.00 2.42 H new ATOM 0 HA ASP A 102 21.701 -26.302 -6.543 1.00 10.03 H new ATOM 0 HB2 ASP A 102 22.118 -26.173 -9.142 1.00 12.41 H new ATOM 0 HB3 ASP A 102 23.214 -24.867 -8.734 1.00 12.41 H new ATOM 1625 N LYS A 103 22.562 -23.120 -6.744 1.00 11.13 N ATOM 1626 CA LYS A 103 23.198 -22.030 -6.014 1.00 61.24 C ATOM 1627 C LYS A 103 22.629 -21.913 -4.605 1.00 72.55 C ATOM 1628 O LYS A 103 23.345 -21.577 -3.662 1.00 11.20 O ATOM 1629 CB LYS A 103 23.009 -20.710 -6.765 1.00 72.25 C ATOM 1630 CG LYS A 103 24.277 -20.197 -7.423 1.00 3.14 C ATOM 1631 CD LYS A 103 24.156 -20.195 -8.938 1.00 44.13 C ATOM 1632 CE LYS A 103 24.762 -21.450 -9.548 1.00 1.52 C ATOM 1633 NZ LYS A 103 25.795 -21.127 -10.572 1.00 52.30 N1+ ATOM 0 H LYS A 103 22.123 -22.841 -7.621 1.00 11.13 H new ATOM 0 HA LYS A 103 24.263 -22.249 -5.938 1.00 61.24 H new ATOM 0 HB2 LYS A 103 22.242 -20.843 -7.528 1.00 72.25 H new ATOM 0 HB3 LYS A 103 22.640 -19.956 -6.070 1.00 72.25 H new ATOM 0 HG2 LYS A 103 24.487 -19.187 -7.072 1.00 3.14 H new ATOM 0 HG3 LYS A 103 25.121 -20.820 -7.125 1.00 3.14 H new ATOM 0 HD2 LYS A 103 23.106 -20.123 -9.220 1.00 44.13 H new ATOM 0 HD3 LYS A 103 24.656 -19.315 -9.343 1.00 44.13 H new ATOM 0 HE2 LYS A 103 25.209 -22.057 -8.761 1.00 1.52 H new ATOM 0 HE3 LYS A 103 23.974 -22.049 -10.004 1.00 1.52 H new ATOM 0 HZ1 LYS A 103 26.183 -22.009 -10.963 1.00 52.30 H new ATOM 0 HZ2 LYS A 103 25.364 -20.569 -11.336 1.00 52.30 H new ATOM 0 HZ3 LYS A 103 26.560 -20.577 -10.132 1.00 52.30 H new ATOM 1647 N ILE A 104 21.336 -22.192 -4.468 1.00 24.21 N ATOM 1648 CA ILE A 104 20.672 -22.119 -3.174 1.00 75.30 C ATOM 1649 C ILE A 104 20.978 -23.351 -2.329 1.00 33.02 C ATOM 1650 O ILE A 104 21.409 -23.238 -1.182 1.00 71.32 O ATOM 1651 CB ILE A 104 19.146 -21.985 -3.330 1.00 75.12 C ATOM 1652 CG1 ILE A 104 18.803 -20.746 -4.160 1.00 24.31 C ATOM 1653 CG2 ILE A 104 18.477 -21.915 -1.965 1.00 12.42 C ATOM 1654 CD1 ILE A 104 17.364 -20.709 -4.624 1.00 41.02 C ATOM 0 H ILE A 104 20.729 -22.471 -5.239 1.00 24.21 H new ATOM 0 HA ILE A 104 21.057 -21.231 -2.672 1.00 75.30 H new ATOM 0 HB ILE A 104 18.771 -22.865 -3.852 1.00 75.12 H new ATOM 0 HG12 ILE A 104 19.009 -19.854 -3.568 1.00 24.31 H new ATOM 0 HG13 ILE A 104 19.458 -20.709 -5.030 1.00 24.31 H new ATOM 0 HG21 ILE A 104 17.399 -21.820 -2.093 1.00 12.42 H new ATOM 0 HG22 ILE A 104 18.698 -22.823 -1.405 1.00 12.42 H new ATOM 0 HG23 ILE A 104 18.855 -21.051 -1.419 1.00 12.42 H new ATOM 0 HD11 ILE A 104 17.193 -19.804 -5.206 1.00 41.02 H new ATOM 0 HD12 ILE A 104 17.159 -21.583 -5.243 1.00 41.02 H new ATOM 0 HD13 ILE A 104 16.702 -20.714 -3.758 1.00 41.02 H new ATOM 1666 N GLU A 105 20.754 -24.529 -2.906 1.00 40.44 N ATOM 1667 CA GLU A 105 21.008 -25.782 -2.206 1.00 53.22 C ATOM 1668 C GLU A 105 22.449 -25.845 -1.708 1.00 11.41 C ATOM 1669 O GLU A 105 22.735 -26.463 -0.683 1.00 43.44 O ATOM 1670 CB GLU A 105 20.722 -26.972 -3.124 1.00 75.31 C ATOM 1671 CG GLU A 105 19.477 -27.754 -2.737 1.00 42.13 C ATOM 1672 CD GLU A 105 18.338 -27.559 -3.719 1.00 61.33 C ATOM 1673 OE1 GLU A 105 18.371 -28.185 -4.799 1.00 72.11 O1- ATOM 1674 OE2 GLU A 105 17.413 -26.780 -3.406 1.00 41.00 O ATOM 0 H GLU A 105 20.398 -24.640 -3.855 1.00 40.44 H new ATOM 0 HA GLU A 105 20.342 -25.828 -1.345 1.00 53.22 H new ATOM 0 HB2 GLU A 105 20.612 -26.613 -4.147 1.00 75.31 H new ATOM 0 HB3 GLU A 105 21.581 -27.643 -3.113 1.00 75.31 H new ATOM 0 HG2 GLU A 105 19.722 -28.814 -2.677 1.00 42.13 H new ATOM 0 HG3 GLU A 105 19.152 -27.445 -1.743 1.00 42.13 H new ATOM 1681 N GLU A 106 23.352 -25.203 -2.443 1.00 44.31 N ATOM 1682 CA GLU A 106 24.764 -25.188 -2.077 1.00 74.11 C ATOM 1683 C GLU A 106 24.996 -24.326 -0.839 1.00 32.44 C ATOM 1684 O GLU A 106 25.776 -24.684 0.041 1.00 4.32 O ATOM 1685 CB GLU A 106 25.609 -24.667 -3.240 1.00 44.23 C ATOM 1686 CG GLU A 106 25.823 -25.689 -4.343 1.00 24.11 C ATOM 1687 CD GLU A 106 27.289 -25.998 -4.576 1.00 41.32 C ATOM 1688 OE1 GLU A 106 28.057 -26.001 -3.591 1.00 40.50 O ATOM 1689 OE2 GLU A 106 27.668 -26.237 -5.741 1.00 43.32 O1- ATOM 0 H GLU A 106 23.131 -24.687 -3.295 1.00 44.31 H new ATOM 0 HA GLU A 106 25.065 -26.210 -1.848 1.00 74.11 H new ATOM 0 HB2 GLU A 106 25.127 -23.785 -3.662 1.00 44.23 H new ATOM 0 HB3 GLU A 106 26.579 -24.348 -2.859 1.00 44.23 H new ATOM 0 HG2 GLU A 106 25.298 -26.609 -4.087 1.00 24.11 H new ATOM 0 HG3 GLU A 106 25.382 -25.317 -5.268 1.00 24.11 H new ATOM 1696 N GLU A 107 24.311 -23.188 -0.781 1.00 35.11 N ATOM 1697 CA GLU A 107 24.442 -22.275 0.349 1.00 45.33 C ATOM 1698 C GLU A 107 23.705 -22.811 1.572 1.00 62.41 C ATOM 1699 O GLU A 107 24.100 -22.556 2.709 1.00 1.23 O ATOM 1700 CB GLU A 107 23.903 -20.891 -0.021 1.00 15.41 C ATOM 1701 CG GLU A 107 24.961 -19.956 -0.583 1.00 61.30 C ATOM 1702 CD GLU A 107 25.729 -19.224 0.500 1.00 64.23 C ATOM 1703 OE1 GLU A 107 26.520 -19.878 1.210 1.00 12.42 O ATOM 1704 OE2 GLU A 107 25.539 -17.997 0.636 1.00 35.32 O1- ATOM 0 H GLU A 107 23.660 -22.877 -1.502 1.00 35.11 H new ATOM 0 HA GLU A 107 25.501 -22.191 0.595 1.00 45.33 H new ATOM 0 HB2 GLU A 107 23.105 -21.005 -0.754 1.00 15.41 H new ATOM 0 HB3 GLU A 107 23.460 -20.434 0.864 1.00 15.41 H new ATOM 0 HG2 GLU A 107 25.659 -20.529 -1.194 1.00 61.30 H new ATOM 0 HG3 GLU A 107 24.485 -19.228 -1.240 1.00 61.30 H new ATOM 1711 N GLN A 108 22.629 -23.554 1.328 1.00 44.40 N ATOM 1712 CA GLN A 108 21.835 -24.125 2.410 1.00 24.15 C ATOM 1713 C GLN A 108 22.639 -25.163 3.185 1.00 74.41 C ATOM 1714 O GLN A 108 22.557 -25.236 4.411 1.00 31.55 O ATOM 1715 CB GLN A 108 20.561 -24.761 1.853 1.00 22.42 C ATOM 1716 CG GLN A 108 19.284 -24.159 2.416 1.00 74.20 C ATOM 1717 CD GLN A 108 18.939 -24.702 3.789 1.00 72.34 C ATOM 1718 OE1 GLN A 108 19.632 -25.570 4.318 1.00 23.25 O ATOM 1719 NE2 GLN A 108 17.861 -24.192 4.374 1.00 51.44 N ATOM 0 H GLN A 108 22.288 -23.774 0.392 1.00 44.40 H new ATOM 0 HA GLN A 108 21.563 -23.320 3.092 1.00 24.15 H new ATOM 0 HB2 GLN A 108 20.556 -24.654 0.768 1.00 22.42 H new ATOM 0 HB3 GLN A 108 20.574 -25.830 2.068 1.00 22.42 H new ATOM 0 HG2 GLN A 108 19.392 -23.076 2.474 1.00 74.20 H new ATOM 0 HG3 GLN A 108 18.460 -24.360 1.732 1.00 74.20 H new ATOM 0 HE21 GLN A 108 17.315 -23.473 3.899 1.00 51.44 H new ATOM 0 HE22 GLN A 108 17.579 -24.519 5.298 1.00 51.44 H new ATOM 1728 N ASN A 109 23.415 -25.964 2.463 1.00 1.13 N ATOM 1729 CA ASN A 109 24.233 -27.000 3.085 1.00 42.23 C ATOM 1730 C ASN A 109 25.134 -26.406 4.163 1.00 13.52 C ATOM 1731 O ASN A 109 25.370 -27.025 5.201 1.00 73.31 O ATOM 1732 CB ASN A 109 25.082 -27.710 2.029 1.00 2.15 C ATOM 1733 CG ASN A 109 25.489 -29.107 2.458 1.00 42.34 C ATOM 1734 OD1 ASN A 109 26.676 -29.402 2.602 1.00 54.25 O ATOM 1735 ND2 ASN A 109 24.505 -29.973 2.665 1.00 0.54 N ATOM 0 H ASN A 109 23.495 -25.916 1.447 1.00 1.13 H new ATOM 0 HA ASN A 109 23.566 -27.724 3.552 1.00 42.23 H new ATOM 0 HB2 ASN A 109 24.522 -27.768 1.096 1.00 2.15 H new ATOM 0 HB3 ASN A 109 25.976 -27.120 1.828 1.00 2.15 H new ATOM 0 HD21 ASN A 109 24.718 -30.927 2.956 1.00 0.54 H new ATOM 0 HD22 ASN A 109 23.536 -29.684 2.533 1.00 0.54 H new ATOM 1742 N LYS A 110 25.637 -25.203 3.910 1.00 23.45 N ATOM 1743 CA LYS A 110 26.511 -24.524 4.858 1.00 51.05 C ATOM 1744 C LYS A 110 25.739 -24.100 6.104 1.00 24.50 C ATOM 1745 O LYS A 110 26.209 -24.278 7.227 1.00 72.23 O ATOM 1746 CB LYS A 110 27.155 -23.299 4.204 1.00 64.34 C ATOM 1747 CG LYS A 110 28.609 -23.509 3.819 1.00 44.24 C ATOM 1748 CD LYS A 110 28.859 -23.144 2.366 1.00 23.12 C ATOM 1749 CE LYS A 110 29.325 -21.704 2.224 1.00 44.45 C ATOM 1750 NZ LYS A 110 30.811 -21.597 2.238 1.00 41.12 N1+ ATOM 0 H LYS A 110 25.454 -24.678 3.055 1.00 23.45 H new ATOM 0 HA LYS A 110 27.293 -25.223 5.156 1.00 51.05 H new ATOM 0 HB2 LYS A 110 26.587 -23.033 3.313 1.00 64.34 H new ATOM 0 HB3 LYS A 110 27.088 -22.454 4.889 1.00 64.34 H new ATOM 0 HG2 LYS A 110 29.248 -22.904 4.462 1.00 44.24 H new ATOM 0 HG3 LYS A 110 28.884 -24.550 3.986 1.00 44.24 H new ATOM 0 HD2 LYS A 110 29.610 -23.813 1.946 1.00 23.12 H new ATOM 0 HD3 LYS A 110 27.945 -23.290 1.791 1.00 23.12 H new ATOM 0 HE2 LYS A 110 28.940 -21.288 1.293 1.00 44.45 H new ATOM 0 HE3 LYS A 110 28.910 -21.106 3.036 1.00 44.45 H new ATOM 0 HZ1 LYS A 110 31.088 -20.600 2.139 1.00 41.12 H new ATOM 0 HZ2 LYS A 110 31.177 -21.971 3.137 1.00 41.12 H new ATOM 0 HZ3 LYS A 110 31.206 -22.146 1.448 1.00 41.12 H new ATOM 1764 N SER A 111 24.551 -23.541 5.896 1.00 11.22 N ATOM 1765 CA SER A 111 23.715 -23.091 7.003 1.00 63.52 C ATOM 1766 C SER A 111 23.343 -24.258 7.913 1.00 24.12 C ATOM 1767 O SER A 111 23.121 -24.080 9.110 1.00 41.54 O ATOM 1768 CB SER A 111 22.446 -22.420 6.471 1.00 21.10 C ATOM 1769 OG SER A 111 21.433 -23.377 6.214 1.00 34.33 O ATOM 0 H SER A 111 24.146 -23.389 4.972 1.00 11.22 H new ATOM 0 HA SER A 111 24.285 -22.367 7.585 1.00 63.52 H new ATOM 0 HB2 SER A 111 22.086 -21.690 7.196 1.00 21.10 H new ATOM 0 HB3 SER A 111 22.676 -21.874 5.556 1.00 21.10 H new ATOM 0 HG SER A 111 21.771 -24.051 5.588 1.00 34.33 H new ATOM 1775 N LYS A 112 23.277 -25.452 7.335 1.00 21.50 N ATOM 1776 CA LYS A 112 22.934 -26.650 8.092 1.00 30.24 C ATOM 1777 C LYS A 112 24.081 -27.063 9.008 1.00 25.11 C ATOM 1778 O LYS A 112 23.864 -27.648 10.069 1.00 21.22 O ATOM 1779 CB LYS A 112 22.589 -27.799 7.140 1.00 50.14 C ATOM 1780 CG LYS A 112 21.791 -28.913 7.794 1.00 15.42 C ATOM 1781 CD LYS A 112 20.298 -28.632 7.749 1.00 4.53 C ATOM 1782 CE LYS A 112 19.595 -29.155 8.991 1.00 14.31 C ATOM 1783 NZ LYS A 112 18.546 -28.214 9.472 1.00 13.31 N1+ ATOM 0 H LYS A 112 23.457 -25.616 6.344 1.00 21.50 H new ATOM 0 HA LYS A 112 22.064 -26.422 8.708 1.00 30.24 H new ATOM 0 HB2 LYS A 112 22.022 -27.404 6.298 1.00 50.14 H new ATOM 0 HB3 LYS A 112 23.512 -28.214 6.736 1.00 50.14 H new ATOM 0 HG2 LYS A 112 22.000 -29.856 7.289 1.00 15.42 H new ATOM 0 HG3 LYS A 112 22.109 -29.029 8.830 1.00 15.42 H new ATOM 0 HD2 LYS A 112 20.131 -27.558 7.660 1.00 4.53 H new ATOM 0 HD3 LYS A 112 19.866 -29.096 6.862 1.00 4.53 H new ATOM 0 HE2 LYS A 112 19.143 -30.122 8.772 1.00 14.31 H new ATOM 0 HE3 LYS A 112 20.327 -29.317 9.782 1.00 14.31 H new ATOM 0 HZ1 LYS A 112 18.090 -28.607 10.320 1.00 13.31 H new ATOM 0 HZ2 LYS A 112 18.981 -27.299 9.705 1.00 13.31 H new ATOM 0 HZ3 LYS A 112 17.833 -28.079 8.727 1.00 13.31 H new ATOM 1797 N LYS A 113 25.305 -26.754 8.591 1.00 34.52 N ATOM 1798 CA LYS A 113 26.488 -27.090 9.375 1.00 72.44 C ATOM 1799 C LYS A 113 26.699 -26.081 10.500 1.00 64.00 C ATOM 1800 O LYS A 113 26.989 -26.456 11.636 1.00 50.42 O ATOM 1801 CB LYS A 113 27.725 -27.132 8.475 1.00 31.24 C ATOM 1802 CG LYS A 113 28.773 -28.133 8.930 1.00 11.11 C ATOM 1803 CD LYS A 113 29.786 -27.494 9.866 1.00 63.43 C ATOM 1804 CE LYS A 113 31.171 -28.094 9.683 1.00 12.22 C ATOM 1805 NZ LYS A 113 31.449 -29.161 10.685 1.00 34.51 N1+ ATOM 0 H LYS A 113 25.503 -26.271 7.715 1.00 34.52 H new ATOM 0 HA LYS A 113 26.334 -28.074 9.817 1.00 72.44 H new ATOM 0 HB2 LYS A 113 27.417 -27.378 7.459 1.00 31.24 H new ATOM 0 HB3 LYS A 113 28.173 -26.139 8.441 1.00 31.24 H new ATOM 0 HG2 LYS A 113 28.286 -28.967 9.435 1.00 11.11 H new ATOM 0 HG3 LYS A 113 29.287 -28.543 8.061 1.00 11.11 H new ATOM 0 HD2 LYS A 113 29.826 -26.420 9.682 1.00 63.43 H new ATOM 0 HD3 LYS A 113 29.464 -27.628 10.899 1.00 63.43 H new ATOM 0 HE2 LYS A 113 31.258 -28.507 8.678 1.00 12.22 H new ATOM 0 HE3 LYS A 113 31.922 -27.309 9.771 1.00 12.22 H new ATOM 0 HZ1 LYS A 113 32.402 -29.545 10.527 1.00 34.51 H new ATOM 0 HZ2 LYS A 113 31.391 -28.761 11.643 1.00 34.51 H new ATOM 0 HZ3 LYS A 113 30.748 -29.923 10.585 1.00 34.51 H new ATOM 1819 N LYS A 114 26.551 -24.801 10.177 1.00 62.00 N ATOM 1820 CA LYS A 114 26.723 -23.738 11.160 1.00 20.42 C ATOM 1821 C LYS A 114 25.830 -23.971 12.375 1.00 22.24 C ATOM 1822 O LYS A 114 26.253 -23.780 13.514 1.00 42.24 O ATOM 1823 CB LYS A 114 26.405 -22.379 10.533 1.00 2.14 C ATOM 1824 CG LYS A 114 27.203 -21.232 11.130 1.00 34.13 C ATOM 1825 CD LYS A 114 26.545 -19.891 10.852 1.00 3.12 C ATOM 1826 CE LYS A 114 26.892 -18.867 11.921 1.00 70.10 C ATOM 1827 NZ LYS A 114 26.130 -17.600 11.744 1.00 35.13 N1+ ATOM 0 H LYS A 114 26.312 -24.474 9.241 1.00 62.00 H new ATOM 0 HA LYS A 114 27.762 -23.745 11.488 1.00 20.42 H new ATOM 0 HB2 LYS A 114 26.601 -22.428 9.462 1.00 2.14 H new ATOM 0 HB3 LYS A 114 25.342 -22.172 10.654 1.00 2.14 H new ATOM 0 HG2 LYS A 114 27.298 -21.375 12.206 1.00 34.13 H new ATOM 0 HG3 LYS A 114 28.212 -21.236 10.717 1.00 34.13 H new ATOM 0 HD2 LYS A 114 26.865 -19.523 9.877 1.00 3.12 H new ATOM 0 HD3 LYS A 114 25.463 -20.018 10.806 1.00 3.12 H new ATOM 0 HE2 LYS A 114 26.680 -19.284 12.906 1.00 70.10 H new ATOM 0 HE3 LYS A 114 27.961 -18.656 11.888 1.00 70.10 H new ATOM 0 HZ1 LYS A 114 26.395 -16.928 12.492 1.00 35.13 H new ATOM 0 HZ2 LYS A 114 26.352 -17.189 10.815 1.00 35.13 H new ATOM 0 HZ3 LYS A 114 25.110 -17.797 11.801 1.00 35.13 H new ATOM 1841 N ALA A 115 24.593 -24.387 12.122 1.00 55.22 N ATOM 1842 CA ALA A 115 23.642 -24.649 13.195 1.00 13.33 C ATOM 1843 C ALA A 115 24.159 -25.733 14.135 1.00 62.21 C ATOM 1844 O ALA A 115 23.883 -25.711 15.334 1.00 41.01 O ATOM 1845 CB ALA A 115 22.292 -25.049 12.618 1.00 22.40 C ATOM 0 H ALA A 115 24.227 -24.550 11.184 1.00 55.22 H new ATOM 0 HA ALA A 115 23.522 -23.732 13.772 1.00 13.33 H new ATOM 0 HB1 ALA A 115 21.592 -25.242 13.431 1.00 22.40 H new ATOM 0 HB2 ALA A 115 21.910 -24.242 11.993 1.00 22.40 H new ATOM 0 HB3 ALA A 115 22.406 -25.951 12.016 1.00 22.40 H new ATOM 1851 N GLN A 116 24.910 -26.680 13.582 1.00 10.25 N ATOM 1852 CA GLN A 116 25.464 -27.773 14.372 1.00 4.12 C ATOM 1853 C GLN A 116 26.966 -27.595 14.570 1.00 74.14 C ATOM 1854 O GLN A 116 27.698 -28.568 14.746 1.00 73.24 O ATOM 1855 CB GLN A 116 25.183 -29.115 13.692 1.00 43.40 C ATOM 1856 CG GLN A 116 25.101 -30.282 14.662 1.00 2.33 C ATOM 1857 CD GLN A 116 23.676 -30.607 15.065 1.00 2.03 C ATOM 1858 OE1 GLN A 116 22.992 -31.384 14.398 1.00 4.42 O ATOM 1859 NE2 GLN A 116 23.220 -30.012 16.161 1.00 3.13 N ATOM 0 H GLN A 116 25.149 -26.712 12.591 1.00 10.25 H new ATOM 0 HA GLN A 116 24.983 -27.761 15.350 1.00 4.12 H new ATOM 0 HB2 GLN A 116 24.245 -29.045 13.141 1.00 43.40 H new ATOM 0 HB3 GLN A 116 25.967 -29.314 12.962 1.00 43.40 H new ATOM 0 HG2 GLN A 116 25.555 -31.162 14.205 1.00 2.33 H new ATOM 0 HG3 GLN A 116 25.683 -30.050 15.554 1.00 2.33 H new ATOM 0 HE21 GLN A 116 23.822 -29.375 16.683 1.00 3.13 H new ATOM 0 HE22 GLN A 116 22.268 -30.192 16.481 1.00 3.13 H new ATOM 1868 N GLN A 117 27.417 -26.345 14.540 1.00 52.03 N ATOM 1869 CA GLN A 117 28.832 -26.040 14.715 1.00 53.13 C ATOM 1870 C GLN A 117 29.132 -25.664 16.163 1.00 22.33 C ATOM 1871 O GLN A 117 30.250 -25.850 16.644 1.00 21.54 O ATOM 1872 CB GLN A 117 29.249 -24.899 13.784 1.00 13.44 C ATOM 1873 CG GLN A 117 30.733 -24.576 13.845 1.00 4.35 C ATOM 1874 CD GLN A 117 31.402 -24.646 12.486 1.00 60.01 C ATOM 1875 OE1 GLN A 117 31.404 -25.692 11.835 1.00 71.04 O ATOM 1876 NE2 GLN A 117 31.975 -23.531 12.050 1.00 61.43 N ATOM 0 H GLN A 117 26.824 -25.528 14.396 1.00 52.03 H new ATOM 0 HA GLN A 117 29.404 -26.933 14.463 1.00 53.13 H new ATOM 0 HB2 GLN A 117 28.985 -25.162 12.760 1.00 13.44 H new ATOM 0 HB3 GLN A 117 28.680 -24.005 14.041 1.00 13.44 H new ATOM 0 HG2 GLN A 117 30.867 -23.577 14.261 1.00 4.35 H new ATOM 0 HG3 GLN A 117 31.225 -25.272 14.524 1.00 4.35 H new ATOM 0 HE21 GLN A 117 31.949 -22.687 12.622 1.00 61.43 H new ATOM 0 HE22 GLN A 117 32.441 -23.518 11.143 1.00 61.43 H new ATOM 1885 N ALA A 118 28.127 -25.136 16.853 1.00 45.14 N ATOM 1886 CA ALA A 118 28.283 -24.735 18.246 1.00 23.25 C ATOM 1887 C ALA A 118 28.226 -25.945 19.173 1.00 41.32 C ATOM 1888 O ALA A 118 28.827 -25.943 20.247 1.00 14.43 O ATOM 1889 CB ALA A 118 27.213 -23.724 18.628 1.00 14.23 C ATOM 0 H ALA A 118 27.195 -24.976 16.470 1.00 45.14 H new ATOM 0 HA ALA A 118 29.262 -24.269 18.357 1.00 23.25 H new ATOM 0 HB1 ALA A 118 27.342 -23.434 19.671 1.00 14.23 H new ATOM 0 HB2 ALA A 118 27.302 -22.843 17.993 1.00 14.23 H new ATOM 0 HB3 ALA A 118 26.227 -24.170 18.495 1.00 14.23 H new ATOM 1895 N ALA A 119 27.500 -26.975 18.752 1.00 22.32 N ATOM 1896 CA ALA A 119 27.366 -28.190 19.545 1.00 5.44 C ATOM 1897 C ALA A 119 28.486 -29.177 19.230 1.00 23.11 C ATOM 1898 O ALA A 119 29.122 -29.718 20.133 1.00 74.21 O ATOM 1899 CB ALA A 119 26.010 -28.833 19.300 1.00 33.04 C ATOM 0 H ALA A 119 26.995 -26.992 17.866 1.00 22.32 H new ATOM 0 HA ALA A 119 27.442 -27.918 20.598 1.00 5.44 H new ATOM 0 HB1 ALA A 119 25.924 -29.740 19.899 1.00 33.04 H new ATOM 0 HB2 ALA A 119 25.221 -28.136 19.581 1.00 33.04 H new ATOM 0 HB3 ALA A 119 25.912 -29.085 18.244 1.00 33.04 H new ATOM 1905 N ALA A 120 28.720 -29.407 17.942 1.00 2.22 N ATOM 1906 CA ALA A 120 29.763 -30.328 17.508 1.00 3.02 C ATOM 1907 C ALA A 120 31.128 -29.648 17.503 1.00 11.41 C ATOM 1908 O ALA A 120 31.693 -29.374 16.444 1.00 31.12 O ATOM 1909 CB ALA A 120 29.441 -30.877 16.125 1.00 12.21 C ATOM 0 H ALA A 120 28.201 -28.968 17.181 1.00 2.22 H new ATOM 0 HA ALA A 120 29.800 -31.156 18.216 1.00 3.02 H new ATOM 0 HB1 ALA A 120 30.228 -31.563 15.814 1.00 12.21 H new ATOM 0 HB2 ALA A 120 28.489 -31.407 16.157 1.00 12.21 H new ATOM 0 HB3 ALA A 120 29.375 -30.054 15.413 1.00 12.21 H new ATOM 1915 N ASP A 121 31.653 -29.379 18.693 1.00 54.43 N ATOM 1916 CA ASP A 121 32.953 -28.731 18.827 1.00 10.10 C ATOM 1917 C ASP A 121 33.340 -28.588 20.296 1.00 4.14 C ATOM 1918 O ASP A 121 34.505 -28.754 20.661 1.00 73.32 O ATOM 1919 CB ASP A 121 32.933 -27.357 18.156 1.00 41.04 C ATOM 1920 CG ASP A 121 33.934 -27.252 17.022 1.00 50.34 C ATOM 1921 OD1 ASP A 121 35.149 -27.359 17.292 1.00 30.22 O1- ATOM 1922 OD2 ASP A 121 33.503 -27.062 15.865 1.00 32.24 O ATOM 0 H ASP A 121 31.199 -29.600 19.579 1.00 54.43 H new ATOM 0 HA ASP A 121 33.696 -29.357 18.333 1.00 10.10 H new ATOM 0 HB2 ASP A 121 31.932 -27.157 17.773 1.00 41.04 H new ATOM 0 HB3 ASP A 121 33.149 -26.590 18.899 1.00 41.04 H new ATOM 1927 N THR A 122 32.357 -28.278 21.135 1.00 32.02 N ATOM 1928 CA THR A 122 32.595 -28.111 22.563 1.00 70.44 C ATOM 1929 C THR A 122 33.749 -27.147 22.819 1.00 34.15 C ATOM 1930 O THR A 122 34.241 -26.495 21.899 1.00 34.24 O ATOM 1931 CB THR A 122 32.904 -29.458 23.243 1.00 43.24 C ATOM 1932 OG1 THR A 122 34.260 -29.839 22.980 1.00 24.24 O ATOM 1933 CG2 THR A 122 31.961 -30.543 22.747 1.00 12.32 C ATOM 0 H THR A 122 31.388 -28.137 20.850 1.00 32.02 H new ATOM 0 HA THR A 122 31.680 -27.700 22.990 1.00 70.44 H new ATOM 0 HB THR A 122 32.762 -29.340 24.317 1.00 43.24 H new ATOM 0 HG1 THR A 122 34.563 -29.418 22.148 1.00 24.24 H new ATOM 0 HG21 THR A 122 32.198 -31.485 23.241 1.00 12.32 H new ATOM 0 HG22 THR A 122 30.932 -30.263 22.974 1.00 12.32 H new ATOM 0 HG23 THR A 122 32.075 -30.660 21.669 1.00 12.32 H new ATOM 1941 N GLY A 123 34.176 -27.064 24.075 1.00 5.42 N ATOM 1942 CA GLY A 123 35.270 -26.179 24.428 1.00 54.43 C ATOM 1943 C GLY A 123 36.626 -26.768 24.091 1.00 62.54 C ATOM 1944 O GLY A 123 36.849 -27.966 24.260 1.00 72.11 O ATOM 0 H GLY A 123 33.784 -27.593 24.854 1.00 5.42 H new ATOM 0 HA2 GLY A 123 35.149 -25.231 23.904 1.00 54.43 H new ATOM 0 HA3 GLY A 123 35.227 -25.962 25.495 1.00 54.43 H new ATOM 1948 N ASN A 124 37.533 -25.924 23.609 1.00 72.42 N ATOM 1949 CA ASN A 124 38.873 -26.368 23.244 1.00 72.51 C ATOM 1950 C ASN A 124 39.826 -25.183 23.125 1.00 61.51 C ATOM 1951 O ASN A 124 39.397 -24.030 23.090 1.00 72.54 O ATOM 1952 CB ASN A 124 38.834 -27.141 21.925 1.00 62.02 C ATOM 1953 CG ASN A 124 39.817 -28.296 21.902 1.00 45.25 C ATOM 1954 OD1 ASN A 124 40.822 -28.283 22.612 1.00 12.35 O ATOM 1955 ND2 ASN A 124 39.531 -29.300 21.081 1.00 15.51 N ATOM 0 H ASN A 124 37.364 -24.929 23.462 1.00 72.42 H new ATOM 0 HA ASN A 124 39.238 -27.026 24.032 1.00 72.51 H new ATOM 0 HB2 ASN A 124 37.826 -27.522 21.760 1.00 62.02 H new ATOM 0 HB3 ASN A 124 39.057 -26.462 21.102 1.00 62.02 H new ATOM 0 HD21 ASN A 124 40.156 -30.103 21.021 1.00 15.51 H new ATOM 0 HD22 ASN A 124 38.686 -29.268 20.511 1.00 15.51 H new ATOM 1962 N ASN A 125 41.121 -25.476 23.061 1.00 61.45 N ATOM 1963 CA ASN A 125 42.134 -24.433 22.944 1.00 15.41 C ATOM 1964 C ASN A 125 42.355 -24.049 21.485 1.00 2.14 C ATOM 1965 O ASN A 125 42.426 -24.911 20.609 1.00 2.43 O ATOM 1966 CB ASN A 125 43.452 -24.903 23.565 1.00 14.14 C ATOM 1967 CG ASN A 125 43.370 -25.021 25.074 1.00 12.44 C ATOM 1968 OD1 ASN A 125 42.341 -25.414 25.623 1.00 14.44 O ATOM 1969 ND2 ASN A 125 44.460 -24.681 25.753 1.00 55.15 N ATOM 0 H ASN A 125 41.493 -26.425 23.088 1.00 61.45 H new ATOM 0 HA ASN A 125 41.779 -23.554 23.482 1.00 15.41 H new ATOM 0 HB2 ASN A 125 43.725 -25.870 23.142 1.00 14.14 H new ATOM 0 HB3 ASN A 125 44.245 -24.203 23.301 1.00 14.14 H new ATOM 0 HD21 ASN A 125 44.466 -24.741 26.771 1.00 55.15 H new ATOM 0 HD22 ASN A 125 45.291 -24.360 25.256 1.00 55.15 H new ATOM 1976 N SER A 126 42.463 -22.749 21.231 1.00 62.02 N ATOM 1977 CA SER A 126 42.673 -22.250 19.877 1.00 30.41 C ATOM 1978 C SER A 126 44.162 -22.130 19.567 1.00 22.23 C ATOM 1979 O SER A 126 45.007 -22.374 20.427 1.00 25.42 O ATOM 1980 CB SER A 126 41.993 -20.892 19.701 1.00 65.24 C ATOM 1981 OG SER A 126 41.202 -20.566 20.830 1.00 14.12 O ATOM 0 H SER A 126 42.409 -22.022 21.945 1.00 62.02 H new ATOM 0 HA SER A 126 42.231 -22.963 19.181 1.00 30.41 H new ATOM 0 HB2 SER A 126 42.748 -20.121 19.548 1.00 65.24 H new ATOM 0 HB3 SER A 126 41.368 -20.908 18.808 1.00 65.24 H new ATOM 0 HG SER A 126 40.780 -19.692 20.692 1.00 14.12 H new ATOM 1987 N GLN A 127 44.474 -21.752 18.331 1.00 22.31 N ATOM 1988 CA GLN A 127 45.861 -21.600 17.906 1.00 33.20 C ATOM 1989 C GLN A 127 46.545 -20.474 18.674 1.00 71.42 C ATOM 1990 O GLN A 127 45.924 -19.460 18.995 1.00 23.25 O ATOM 1991 CB GLN A 127 45.928 -21.324 16.403 1.00 63.44 C ATOM 1992 CG GLN A 127 46.614 -22.425 15.611 1.00 34.21 C ATOM 1993 CD GLN A 127 45.638 -23.459 15.084 1.00 72.32 C ATOM 1994 OE1 GLN A 127 44.472 -23.155 14.830 1.00 32.15 O ATOM 1995 NE2 GLN A 127 46.111 -24.688 14.916 1.00 22.34 N ATOM 0 H GLN A 127 43.786 -21.546 17.607 1.00 22.31 H new ATOM 0 HA GLN A 127 46.385 -22.531 18.120 1.00 33.20 H new ATOM 0 HB2 GLN A 127 44.916 -21.190 16.021 1.00 63.44 H new ATOM 0 HB3 GLN A 127 46.457 -20.386 16.238 1.00 63.44 H new ATOM 0 HG2 GLN A 127 47.156 -21.983 14.775 1.00 34.21 H new ATOM 0 HG3 GLN A 127 47.352 -22.917 16.244 1.00 34.21 H new ATOM 0 HE21 GLN A 127 47.084 -24.895 15.140 1.00 22.34 H new ATOM 0 HE22 GLN A 127 45.501 -25.425 14.563 1.00 22.34 H new ATOM 2004 N VAL A 128 47.828 -20.659 18.967 1.00 3.20 N ATOM 2005 CA VAL A 128 48.597 -19.659 19.697 1.00 42.24 C ATOM 2006 C VAL A 128 48.504 -18.294 19.022 1.00 41.33 C ATOM 2007 O VAL A 128 48.656 -18.180 17.806 1.00 75.13 O ATOM 2008 CB VAL A 128 50.080 -20.063 19.810 1.00 25.50 C ATOM 2009 CG1 VAL A 128 50.727 -20.112 18.434 1.00 31.52 C ATOM 2010 CG2 VAL A 128 50.825 -19.103 20.724 1.00 65.12 C ATOM 0 H VAL A 128 48.357 -21.492 18.710 1.00 3.20 H new ATOM 0 HA VAL A 128 48.168 -19.597 20.697 1.00 42.24 H new ATOM 0 HB VAL A 128 50.134 -21.060 20.246 1.00 25.50 H new ATOM 0 HG11 VAL A 128 51.774 -20.399 18.534 1.00 31.52 H new ATOM 0 HG12 VAL A 128 50.208 -20.843 17.814 1.00 31.52 H new ATOM 0 HG13 VAL A 128 50.663 -19.129 17.967 1.00 31.52 H new ATOM 0 HG21 VAL A 128 51.871 -19.403 20.792 1.00 65.12 H new ATOM 0 HG22 VAL A 128 50.763 -18.093 20.319 1.00 65.12 H new ATOM 0 HG23 VAL A 128 50.376 -19.124 21.717 1.00 65.12 H new ATOM 2020 N SER A 129 48.255 -17.262 19.821 1.00 75.42 N ATOM 2021 CA SER A 129 48.138 -15.904 19.302 1.00 32.23 C ATOM 2022 C SER A 129 49.463 -15.432 18.711 1.00 41.10 C ATOM 2023 O SER A 129 50.481 -16.115 18.822 1.00 50.54 O ATOM 2024 CB SER A 129 47.690 -14.948 20.409 1.00 4.50 C ATOM 2025 OG SER A 129 46.852 -13.928 19.895 1.00 42.24 O ATOM 0 H SER A 129 48.130 -17.340 20.830 1.00 75.42 H new ATOM 0 HA SER A 129 47.388 -15.908 18.511 1.00 32.23 H new ATOM 0 HB2 SER A 129 47.159 -15.504 21.181 1.00 4.50 H new ATOM 0 HB3 SER A 129 48.564 -14.501 20.883 1.00 4.50 H new ATOM 0 HG SER A 129 46.578 -13.332 20.623 1.00 42.24 H new ATOM 2031 N GLN A 130 49.440 -14.261 18.083 1.00 20.22 N ATOM 2032 CA GLN A 130 50.639 -13.699 17.475 1.00 64.05 C ATOM 2033 C GLN A 130 50.531 -12.181 17.359 1.00 14.33 C ATOM 2034 O GLN A 130 49.445 -11.616 17.481 1.00 54.44 O ATOM 2035 CB GLN A 130 50.871 -14.310 16.092 1.00 34.21 C ATOM 2036 CG GLN A 130 49.766 -14.000 15.096 1.00 71.51 C ATOM 2037 CD GLN A 130 50.053 -14.552 13.713 1.00 54.11 C ATOM 2038 OE1 GLN A 130 50.574 -13.849 12.847 1.00 72.43 O ATOM 2039 NE2 GLN A 130 49.714 -15.818 13.500 1.00 45.31 N ATOM 0 H GLN A 130 48.605 -13.684 17.982 1.00 20.22 H new ATOM 0 HA GLN A 130 51.486 -13.938 18.118 1.00 64.05 H new ATOM 0 HB2 GLN A 130 51.818 -13.943 15.697 1.00 34.21 H new ATOM 0 HB3 GLN A 130 50.965 -15.391 16.193 1.00 34.21 H new ATOM 0 HG2 GLN A 130 48.827 -14.415 15.461 1.00 71.51 H new ATOM 0 HG3 GLN A 130 49.633 -12.920 15.031 1.00 71.51 H new ATOM 0 HE21 GLN A 130 49.284 -16.364 14.247 1.00 45.31 H new ATOM 0 HE22 GLN A 130 49.883 -16.245 12.589 1.00 45.31 H new ATOM 2048 N ASN A 131 51.665 -11.528 17.125 1.00 73.42 N ATOM 2049 CA ASN A 131 51.697 -10.076 16.995 1.00 72.33 C ATOM 2050 C ASN A 131 52.849 -9.635 16.099 1.00 22.32 C ATOM 2051 O ASN A 131 53.562 -10.466 15.534 1.00 63.44 O ATOM 2052 CB ASN A 131 51.829 -9.423 18.372 1.00 60.35 C ATOM 2053 CG ASN A 131 50.779 -8.353 18.609 1.00 24.51 C ATOM 2054 OD1 ASN A 131 49.606 -8.535 18.280 1.00 5.53 O ATOM 2055 ND2 ASN A 131 51.197 -7.230 19.179 1.00 12.30 N ATOM 0 H ASN A 131 52.573 -11.981 17.022 1.00 73.42 H new ATOM 0 HA ASN A 131 50.761 -9.757 16.537 1.00 72.33 H new ATOM 0 HB2 ASN A 131 51.744 -10.188 19.143 1.00 60.35 H new ATOM 0 HB3 ASN A 131 52.821 -8.982 18.468 1.00 60.35 H new ATOM 0 HD21 ASN A 131 50.537 -6.474 19.361 1.00 12.30 H new ATOM 0 HD22 ASN A 131 52.178 -7.123 19.435 1.00 12.30 H new ATOM 2062 N TYR A 132 53.026 -8.325 15.973 1.00 65.15 N ATOM 2063 CA TYR A 132 54.091 -7.773 15.143 1.00 12.02 C ATOM 2064 C TYR A 132 53.980 -8.277 13.708 1.00 2.14 C ATOM 2065 O TYR A 132 52.868 -8.498 13.230 1.00 64.12 O ATOM 2066 CB TYR A 132 55.459 -8.142 15.721 1.00 31.33 C ATOM 2067 CG TYR A 132 56.122 -7.012 16.474 1.00 51.32 C ATOM 2068 CD1 TYR A 132 55.419 -6.273 17.418 1.00 10.32 C ATOM 2069 CD2 TYR A 132 57.453 -6.683 16.243 1.00 33.31 C ATOM 2070 CE1 TYR A 132 56.022 -5.239 18.110 1.00 24.40 C ATOM 2071 CE2 TYR A 132 58.063 -5.651 16.930 1.00 50.20 C ATOM 2072 CZ TYR A 132 57.343 -4.933 17.862 1.00 64.02 C ATOM 2073 OH TYR A 132 57.947 -3.904 18.548 1.00 65.43 O ATOM 0 H TYR A 132 52.446 -7.625 16.435 1.00 65.15 H new ATOM 0 HA TYR A 132 53.987 -6.688 15.136 1.00 12.02 H new ATOM 0 HB2 TYR A 132 55.343 -8.995 16.390 1.00 31.33 H new ATOM 0 HB3 TYR A 132 56.113 -8.460 14.909 1.00 31.33 H new ATOM 0 HD1 TYR A 132 54.384 -6.510 17.614 1.00 10.32 H new ATOM 0 HD2 TYR A 132 58.020 -7.244 15.514 1.00 33.31 H new ATOM 0 HE1 TYR A 132 55.461 -4.674 18.840 1.00 24.40 H new ATOM 0 HE2 TYR A 132 59.098 -5.408 16.738 1.00 50.20 H new ATOM 0 HH TYR A 132 58.879 -3.819 18.257 1.00 65.43 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 -2.613 -16.153 8.886 1.00 41.34 N HETATM 2085 P 8SP A 300 -2.142 -20.754 8.334 1.00 24.52 P HETATM 2086 OG 8SP A 300 -1.783 -19.768 9.539 1.00 60.24 O HETATM 2087 C1A 8SP A 300 0.522 -23.169 10.690 1.00 33.11 C HETATM 2088 O1A 8SP A 300 -0.606 -22.620 10.744 1.00 2.15 O HETATM 2089 C1B 8SP A 300 2.396 -22.382 4.965 1.00 30.45 C HETATM 2090 O1B 8SP A 300 3.129 -21.380 5.134 1.00 1.33 O HETATM 2091 CB 8SP A 300 -1.579 -18.365 9.257 1.00 34.43 C HETATM 2092 C1G 8SP A 300 1.227 -23.444 8.305 1.00 53.44 C HETATM 2093 O1G 8SP A 300 1.360 -22.938 9.639 1.00 33.14 O HETATM 2094 C2A 8SP A 300 1.010 -24.067 11.757 1.00 55.43 C HETATM 2095 C2B 8SP A 300 2.291 -23.061 3.654 1.00 73.31 C HETATM 2096 CA 8SP A 300 -2.906 -17.582 9.099 1.00 62.41 C HETATM 2097 C2G 8SP A 300 1.367 -22.302 7.269 1.00 21.22 C HETATM 2098 O2G 8SP A 300 1.688 -22.913 6.007 1.00 53.12 O HETATM 2099 O2P 8SP A 300 -3.383 -21.502 8.551 1.00 44.45 O HETATM 2100 C3A 8SP A 300 -0.024 -24.422 12.862 1.00 42.42 C HETATM 2101 C3B 8SP A 300 3.560 -23.837 3.200 1.00 62.54 C HETATM 2102 C 8SP A 300 -3.804 -17.712 10.263 1.00 42.10 C HETATM 2103 O 8SP A 300 -4.845 -18.404 10.206 1.00 62.33 O HETATM 2104 OXT 8SP A 300 -3.492 -17.116 11.441 1.00 2.24 O HETATM 2105 C3G 8SP A 300 0.109 -21.392 7.195 1.00 50.32 C HETATM 2106 O3G 8SP A 300 -0.914 -21.768 8.150 1.00 54.30 O HETATM 2107 O3P 8SP A 300 -2.255 -19.901 7.004 1.00 64.14 O HETATM 2108 C4A 8SP A 300 0.248 -23.664 14.191 1.00 24.32 C HETATM 2109 C4B 8SP A 300 4.261 -23.185 1.976 1.00 42.00 C HETATM 2110 C5A 8SP A 300 -1.048 -23.371 14.991 1.00 20.52 C HETATM 2111 C5B 8SP A 300 4.593 -21.686 2.204 1.00 74.41 C HETATM 2112 C6A 8SP A 300 -1.480 -21.882 14.903 1.00 74.32 C HETATM 2113 C6B 8SP A 300 5.529 -21.099 1.113 1.00 50.31 C HETATM 2114 C7A 8SP A 300 -2.082 -21.515 13.520 1.00 11.23 C HETATM 2115 C7B 8SP A 300 4.933 -19.840 0.430 1.00 22.01 C HETATM 2116 C8A 8SP A 300 -2.610 -20.065 13.465 1.00 25.33 C HETATM 2117 C8B 8SP A 300 4.839 -19.973 -1.108 1.00 73.12 C HETATM 0 H38B 8SP A 300 5.835 -20.133 -1.521 1.00 73.12 H new HETATM 0 H38A 8SP A 300 -3.391 -19.933 14.214 1.00 25.33 H new HETATM 0 H28B 8SP A 300 4.201 -20.820 -1.362 1.00 73.12 H new HETATM 0 H28A 8SP A 300 -1.793 -19.372 13.667 1.00 25.33 H new HETATM 0 H27B 8SP A 300 3.938 -19.651 0.834 1.00 22.01 H new HETATM 0 H27A 8SP A 300 -1.322 -21.650 12.750 1.00 11.23 H new HETATM 0 H26B 8SP A 300 6.489 -20.844 1.562 1.00 50.31 H new HETATM 0 H26A 8SP A 300 -2.214 -21.674 15.681 1.00 74.32 H new HETATM 0 H25B 8SP A 300 3.666 -21.113 2.226 1.00 74.41 H new HETATM 0 H25A 8SP A 300 -1.853 -24.002 14.615 1.00 20.52 H new HETATM 0 H24B 8SP A 300 5.181 -23.727 1.758 1.00 42.00 H new HETATM 0 H24A 8SP A 300 0.925 -24.254 14.809 1.00 24.32 H new HETATM 0 H23G 8SP A 300 0.403 -20.358 7.373 1.00 50.32 H new HETATM 0 H23B 8SP A 300 4.264 -23.890 4.030 1.00 62.54 H new HETATM 0 H23A 8SP A 300 -1.027 -24.182 12.508 1.00 42.42 H new HETATM 0 H22B 8SP A 300 1.454 -23.758 3.691 1.00 73.31 H new HETATM 0 H22A 8SP A 300 1.356 -24.993 11.298 1.00 55.43 H new HETATM 0 H21G 8SP A 300 1.987 -24.203 8.121 1.00 53.44 H new HETATM 0 H18B 8SP A 300 4.414 -19.061 -1.527 1.00 73.12 H new HETATM 0 H18A 8SP A 300 -3.019 -19.864 12.475 1.00 25.33 H new HETATM 0 H17B 8SP A 300 5.547 -18.974 0.677 1.00 22.01 H new HETATM 0 H17A 8SP A 300 -2.896 -22.202 13.289 1.00 11.23 H new HETATM 0 H16B 8SP A 300 5.723 -21.860 0.357 1.00 50.31 H new HETATM 0 H16A 8SP A 300 -0.618 -21.245 15.100 1.00 74.32 H new HETATM 0 H15B 8SP A 300 5.063 -21.568 3.180 1.00 74.41 H new HETATM 0 H15A 8SP A 300 -0.894 -23.640 16.036 1.00 20.52 H new HETATM 0 H14B 8SP A 300 3.619 -23.282 1.101 1.00 42.00 H new HETATM 0 H14A 8SP A 300 0.754 -22.724 13.971 1.00 24.32 H new HETATM 0 H13G 8SP A 300 -0.307 -21.436 6.188 1.00 50.32 H new HETATM 0 H13B 8SP A 300 3.284 -24.862 2.951 1.00 62.54 H new HETATM 0 H13A 8SP A 300 0.000 -25.496 13.047 1.00 42.42 H new HETATM 0 H12B 8SP A 300 2.052 -22.315 2.896 1.00 73.31 H new HETATM 0 H12A 8SP A 300 1.875 -23.603 12.230 1.00 55.43 H new HETATM 0 H11G 8SP A 300 0.258 -23.929 8.190 1.00 53.44 H new HETATM 0 HXT 8SP A 300 -4.275 -17.127 12.031 1.00 2.24 H new HETATM 0 HB3 8SP A 300 -0.993 -18.265 8.343 1.00 34.43 H new HETATM 0 HB2 8SP A 300 -0.994 -17.919 10.061 1.00 34.43 H new HETATM 0 HA 8SP A 300 -3.420 -18.014 8.241 1.00 62.41 H new HETATM 0 H2G 8SP A 300 2.164 -21.622 7.570 1.00 21.22 H new HETATM 0 H2 8SP A 300 -3.377 -15.489 8.762 1.00 41.34 H new HETATM 0 H 8SP A 300 -1.646 -15.829 8.863 1.00 41.34 H new