USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1209 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= 1.11 K(o=2.3,f=-2.1!) USER MOD Set 1.2: A 98 TYR OH : rot 3:sc= 1.2 USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 2.22 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -176:sc= 2.37 (180deg=1.22) USER MOD Set 3.1: A 40 THR OG1 : rot 157:sc= 0.967 USER MOD Set 3.2: A 129 TYR OH : rot 180:sc= 0.841 USER MOD Set 4.1: A 21 THR OG1 : rot 10:sc= 1.73 USER MOD Set 4.2: A 64 SER OG : rot 90:sc= 0.546 USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.7 (180deg=0.172) USER MOD Single : A 3 SER OG : rot 43:sc= 1.09 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0861 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0.177 (180deg=0.13) USER MOD Single : A 22 SER OG : rot -25:sc= 0.0784 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00224 USER MOD Single : A 27 GLN : amide:sc= -0.76! C(o=-0.76!,f=-5.3!) USER MOD Single : A 28 TYR OH : rot -133:sc= 0.0862 USER MOD Single : A 29 THR OG1 : rot -27:sc= 0.0657 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0358) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.32) USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= -0.0782 (180deg=-0.473) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.7!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -126:sc= -0.102 USER MOD Single : A 122 CYS SG : rot 166:sc= 0.118 USER MOD Single : A 123 TYR OH : rot 42:sc= 0.0994 USER MOD Single : A 124 THR OG1 : rot 170:sc= 0.385 USER MOD Single : A 127 TYR OH : rot -165:sc= -0.3 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= 0.0936 X(o=0.094,f=-0.15) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 ASN : amide:sc= -0.236 K(o=-0.24,f=-5.5!) USER MOD Single : A 144 LYS NZ :NH3+ 175:sc=-0.00129 (180deg=-0.0371) USER MOD Single : A 147 ASN : amide:sc= 1.52 K(o=1.5,f=-8.1!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HE2:sc= 0.238 K(o=0.24,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.077 -8.514 -16.492 1.00 34.13 N ATOM 2 CA GLY A 1 -29.729 -7.109 -16.733 1.00 62.21 C ATOM 3 C GLY A 1 -30.901 -6.347 -17.320 1.00 12.14 C ATOM 4 O GLY A 1 -31.911 -6.955 -17.667 1.00 44.31 O ATOM 0 H1 GLY A 1 -29.226 -9.104 -16.588 1.00 34.13 H new ATOM 0 H2 GLY A 1 -30.462 -8.616 -15.531 1.00 34.13 H new ATOM 0 H3 GLY A 1 -30.790 -8.819 -17.185 1.00 34.13 H new ATOM 0 HA2 GLY A 1 -29.420 -6.642 -15.798 1.00 62.21 H new ATOM 0 HA3 GLY A 1 -28.879 -7.054 -17.413 1.00 62.21 H new ATOM 8 N ASP A 2 -30.773 -5.017 -17.415 1.00 30.41 N ATOM 9 CA ASP A 2 -31.779 -4.053 -17.906 1.00 50.14 C ATOM 10 C ASP A 2 -33.127 -4.219 -17.185 1.00 51.02 C ATOM 11 O ASP A 2 -34.210 -3.924 -17.688 1.00 54.01 O ATOM 12 CB ASP A 2 -31.846 -4.058 -19.445 1.00 22.34 C ATOM 13 CG ASP A 2 -30.531 -3.558 -20.045 1.00 51.23 C ATOM 14 OD1 ASP A 2 -30.190 -2.362 -19.884 1.00 73.42 O ATOM 15 OD2 ASP A 2 -29.796 -4.370 -20.654 1.00 12.41 O ATOM 0 H ASP A 2 -29.910 -4.551 -17.134 1.00 30.41 H new ATOM 0 HA ASP A 2 -31.463 -3.043 -17.644 1.00 50.14 H new ATOM 0 HB2 ASP A 2 -32.054 -5.067 -19.802 1.00 22.34 H new ATOM 0 HB3 ASP A 2 -32.668 -3.426 -19.780 1.00 22.34 H new ATOM 20 N SER A 3 -33.032 -4.721 -15.958 1.00 25.11 N ATOM 21 CA SER A 3 -34.012 -5.154 -14.982 1.00 13.24 C ATOM 22 C SER A 3 -33.188 -5.743 -13.832 1.00 11.15 C ATOM 23 O SER A 3 -31.959 -5.652 -13.847 1.00 45.02 O ATOM 24 CB SER A 3 -34.953 -6.211 -15.573 1.00 73.43 C ATOM 25 OG SER A 3 -35.907 -5.580 -16.402 1.00 30.41 O ATOM 0 H SER A 3 -32.099 -4.852 -15.567 1.00 25.11 H new ATOM 0 HA SER A 3 -34.649 -4.332 -14.655 1.00 13.24 H new ATOM 0 HB2 SER A 3 -34.383 -6.941 -16.147 1.00 73.43 H new ATOM 0 HB3 SER A 3 -35.454 -6.756 -14.773 1.00 73.43 H new ATOM 0 HG SER A 3 -35.463 -4.903 -16.955 1.00 30.41 H new ATOM 31 N GLU A 4 -33.865 -6.325 -12.839 1.00 1.15 N ATOM 32 CA GLU A 4 -33.295 -7.019 -11.687 1.00 61.54 C ATOM 33 C GLU A 4 -32.228 -6.190 -10.939 1.00 5.44 C ATOM 34 O GLU A 4 -31.280 -6.713 -10.345 1.00 13.14 O ATOM 35 CB GLU A 4 -32.951 -8.480 -12.045 1.00 21.42 C ATOM 36 CG GLU A 4 -31.649 -8.741 -12.816 1.00 33.53 C ATOM 37 CD GLU A 4 -31.638 -10.081 -13.541 1.00 41.21 C ATOM 38 OE1 GLU A 4 -32.060 -11.102 -12.932 1.00 22.35 O ATOM 39 OE2 GLU A 4 -31.205 -10.082 -14.712 1.00 45.20 O ATOM 0 H GLU A 4 -34.885 -6.323 -12.819 1.00 1.15 H new ATOM 0 HA GLU A 4 -34.054 -7.113 -10.910 1.00 61.54 H new ATOM 0 HB2 GLU A 4 -32.911 -9.052 -11.118 1.00 21.42 H new ATOM 0 HB3 GLU A 4 -33.775 -8.884 -12.633 1.00 21.42 H new ATOM 0 HG2 GLU A 4 -31.498 -7.942 -13.541 1.00 33.53 H new ATOM 0 HG3 GLU A 4 -30.810 -8.704 -12.122 1.00 33.53 H new ATOM 46 N LEU A 5 -32.408 -4.861 -10.958 1.00 63.23 N ATOM 47 CA LEU A 5 -31.606 -3.895 -10.220 1.00 64.52 C ATOM 48 C LEU A 5 -31.705 -4.211 -8.730 1.00 3.45 C ATOM 49 O LEU A 5 -32.796 -4.454 -8.209 1.00 33.55 O ATOM 50 CB LEU A 5 -32.110 -2.456 -10.458 1.00 11.25 C ATOM 51 CG LEU A 5 -31.548 -1.753 -11.707 1.00 5.45 C ATOM 52 CD1 LEU A 5 -32.003 -2.389 -13.022 1.00 25.14 C ATOM 53 CD2 LEU A 5 -31.975 -0.280 -11.703 1.00 42.32 C ATOM 0 H LEU A 5 -33.145 -4.421 -11.510 1.00 63.23 H new ATOM 0 HA LEU A 5 -30.574 -3.963 -10.565 1.00 64.52 H new ATOM 0 HB2 LEU A 5 -33.197 -2.479 -10.534 1.00 11.25 H new ATOM 0 HB3 LEU A 5 -31.864 -1.855 -9.583 1.00 11.25 H new ATOM 0 HG LEU A 5 -30.464 -1.855 -11.654 1.00 5.45 H new ATOM 0 HD11 LEU A 5 -31.569 -1.843 -13.860 1.00 25.14 H new ATOM 0 HD12 LEU A 5 -31.674 -3.428 -13.057 1.00 25.14 H new ATOM 0 HD13 LEU A 5 -33.090 -2.350 -13.088 1.00 25.14 H new ATOM 0 HD21 LEU A 5 -31.577 0.217 -12.588 1.00 42.32 H new ATOM 0 HD22 LEU A 5 -33.063 -0.217 -11.710 1.00 42.32 H new ATOM 0 HD23 LEU A 5 -31.589 0.208 -10.808 1.00 42.32 H new ATOM 65 N THR A 6 -30.578 -4.111 -8.031 1.00 32.15 N ATOM 66 CA THR A 6 -30.509 -4.102 -6.579 1.00 31.11 C ATOM 67 C THR A 6 -29.556 -2.963 -6.174 1.00 31.32 C ATOM 68 O THR A 6 -29.283 -2.062 -6.977 1.00 21.42 O ATOM 69 CB THR A 6 -30.132 -5.495 -6.032 1.00 21.24 C ATOM 70 OG1 THR A 6 -28.846 -5.869 -6.464 1.00 12.34 O ATOM 71 CG2 THR A 6 -31.132 -6.602 -6.386 1.00 62.33 C ATOM 0 H THR A 6 -29.663 -4.032 -8.475 1.00 32.15 H new ATOM 0 HA THR A 6 -31.480 -3.901 -6.125 1.00 31.11 H new ATOM 0 HB THR A 6 -30.153 -5.391 -4.947 1.00 21.24 H new ATOM 0 HG1 THR A 6 -28.625 -6.754 -6.105 1.00 12.34 H new ATOM 0 HG21 THR A 6 -30.792 -7.548 -5.964 1.00 62.33 H new ATOM 0 HG22 THR A 6 -32.111 -6.353 -5.977 1.00 62.33 H new ATOM 0 HG23 THR A 6 -31.205 -6.694 -7.470 1.00 62.33 H new ATOM 79 N THR A 7 -29.098 -2.941 -4.921 1.00 5.25 N ATOM 80 CA THR A 7 -28.385 -1.804 -4.339 1.00 23.22 C ATOM 81 C THR A 7 -27.097 -2.215 -3.613 1.00 33.11 C ATOM 82 O THR A 7 -26.572 -1.442 -2.817 1.00 22.33 O ATOM 83 CB THR A 7 -29.360 -1.006 -3.448 1.00 34.44 C ATOM 84 OG1 THR A 7 -30.072 -1.861 -2.563 1.00 34.21 O ATOM 85 CG2 THR A 7 -30.394 -0.244 -4.289 1.00 54.03 C ATOM 0 H THR A 7 -29.213 -3.722 -4.275 1.00 5.25 H new ATOM 0 HA THR A 7 -28.040 -1.154 -5.143 1.00 23.22 H new ATOM 0 HB THR A 7 -28.748 -0.304 -2.881 1.00 34.44 H new ATOM 0 HG1 THR A 7 -30.680 -1.327 -2.011 1.00 34.21 H new ATOM 0 HG21 THR A 7 -31.065 0.307 -3.630 1.00 54.03 H new ATOM 0 HG22 THR A 7 -29.881 0.454 -4.951 1.00 54.03 H new ATOM 0 HG23 THR A 7 -30.971 -0.951 -4.885 1.00 54.03 H new ATOM 93 N GLN A 8 -26.593 -3.427 -3.860 1.00 14.42 N ATOM 94 CA GLN A 8 -25.444 -3.993 -3.157 1.00 74.24 C ATOM 95 C GLN A 8 -24.379 -4.413 -4.159 1.00 44.34 C ATOM 96 O GLN A 8 -23.982 -5.575 -4.245 1.00 14.42 O ATOM 97 CB GLN A 8 -25.896 -5.133 -2.241 1.00 42.40 C ATOM 98 CG GLN A 8 -26.887 -4.633 -1.182 1.00 12.41 C ATOM 99 CD GLN A 8 -26.871 -5.549 0.034 1.00 25.54 C ATOM 100 OE1 GLN A 8 -27.212 -6.729 -0.055 1.00 13.02 O ATOM 101 NE2 GLN A 8 -26.431 -5.057 1.182 1.00 31.34 N ATOM 0 H GLN A 8 -26.981 -4.052 -4.567 1.00 14.42 H new ATOM 0 HA GLN A 8 -24.990 -3.240 -2.513 1.00 74.24 H new ATOM 0 HB2 GLN A 8 -26.361 -5.919 -2.836 1.00 42.40 H new ATOM 0 HB3 GLN A 8 -25.029 -5.575 -1.751 1.00 42.40 H new ATOM 0 HG2 GLN A 8 -26.628 -3.617 -0.883 1.00 12.41 H new ATOM 0 HG3 GLN A 8 -27.891 -4.595 -1.604 1.00 12.41 H new ATOM 0 HE21 GLN A 8 -26.151 -4.078 1.244 1.00 31.34 H new ATOM 0 HE22 GLN A 8 -26.372 -5.657 2.005 1.00 31.34 H new ATOM 110 N ASP A 9 -23.946 -3.451 -4.956 1.00 61.50 N ATOM 111 CA ASP A 9 -23.191 -3.600 -6.198 1.00 74.13 C ATOM 112 C ASP A 9 -21.674 -3.443 -6.018 1.00 13.13 C ATOM 113 O ASP A 9 -20.913 -3.372 -6.983 1.00 44.43 O ATOM 114 CB ASP A 9 -23.776 -2.621 -7.234 1.00 3.33 C ATOM 115 CG ASP A 9 -23.692 -1.168 -6.769 1.00 44.31 C ATOM 116 OD1 ASP A 9 -24.527 -0.764 -5.934 1.00 11.33 O ATOM 117 OD2 ASP A 9 -22.776 -0.422 -7.176 1.00 54.22 O ATOM 0 H ASP A 9 -24.124 -2.470 -4.739 1.00 61.50 H new ATOM 0 HA ASP A 9 -23.302 -4.623 -6.557 1.00 74.13 H new ATOM 0 HB2 ASP A 9 -23.240 -2.730 -8.177 1.00 3.33 H new ATOM 0 HB3 ASP A 9 -24.817 -2.879 -7.427 1.00 3.33 H new ATOM 122 N GLY A 10 -21.204 -3.398 -4.778 1.00 32.42 N ATOM 123 CA GLY A 10 -19.810 -3.278 -4.393 1.00 52.12 C ATOM 124 C GLY A 10 -19.716 -3.263 -2.874 1.00 64.21 C ATOM 125 O GLY A 10 -20.548 -2.644 -2.215 1.00 25.34 O ATOM 0 H GLY A 10 -21.824 -3.447 -3.970 1.00 32.42 H new ATOM 0 HA2 GLY A 10 -19.234 -4.110 -4.798 1.00 52.12 H new ATOM 0 HA3 GLY A 10 -19.383 -2.364 -4.806 1.00 52.12 H new ATOM 129 N GLU A 11 -18.719 -3.945 -2.315 1.00 41.04 N ATOM 130 CA GLU A 11 -18.455 -3.965 -0.885 1.00 44.13 C ATOM 131 C GLU A 11 -18.203 -2.538 -0.373 1.00 12.12 C ATOM 132 O GLU A 11 -17.679 -1.686 -1.102 1.00 62.11 O ATOM 133 CB GLU A 11 -17.267 -4.913 -0.617 1.00 3.02 C ATOM 134 CG GLU A 11 -16.993 -5.134 0.865 1.00 65.22 C ATOM 135 CD GLU A 11 -15.906 -6.165 1.150 1.00 32.24 C ATOM 136 OE1 GLU A 11 -15.718 -7.139 0.389 1.00 72.42 O ATOM 137 OE2 GLU A 11 -15.150 -5.997 2.130 1.00 24.22 O ATOM 0 H GLU A 11 -18.062 -4.508 -2.856 1.00 41.04 H new ATOM 0 HA GLU A 11 -19.319 -4.342 -0.338 1.00 44.13 H new ATOM 0 HB2 GLU A 11 -17.465 -5.875 -1.090 1.00 3.02 H new ATOM 0 HB3 GLU A 11 -16.373 -4.505 -1.088 1.00 3.02 H new ATOM 0 HG2 GLU A 11 -16.705 -4.184 1.316 1.00 65.22 H new ATOM 0 HG3 GLU A 11 -17.916 -5.451 1.351 1.00 65.22 H new ATOM 144 N ASP A 12 -18.543 -2.295 0.894 1.00 42.40 N ATOM 145 CA ASP A 12 -18.332 -1.013 1.561 1.00 43.14 C ATOM 146 C ASP A 12 -16.853 -0.617 1.506 1.00 24.51 C ATOM 147 O ASP A 12 -15.966 -1.460 1.712 1.00 12.12 O ATOM 148 CB ASP A 12 -18.726 -1.114 3.036 1.00 45.31 C ATOM 149 CG ASP A 12 -19.153 0.201 3.657 1.00 73.40 C ATOM 150 OD1 ASP A 12 -18.265 1.079 3.758 1.00 41.43 O ATOM 151 OD2 ASP A 12 -20.287 0.279 4.181 1.00 42.34 O ATOM 0 H ASP A 12 -18.979 -2.996 1.493 1.00 42.40 H new ATOM 0 HA ASP A 12 -18.943 -0.269 1.050 1.00 43.14 H new ATOM 0 HB2 ASP A 12 -19.541 -1.831 3.134 1.00 45.31 H new ATOM 0 HB3 ASP A 12 -17.882 -1.512 3.599 1.00 45.31 H new ATOM 156 N PHE A 13 -16.571 0.674 1.330 1.00 53.24 N ATOM 157 CA PHE A 13 -15.215 1.209 1.379 1.00 23.32 C ATOM 158 C PHE A 13 -14.523 0.924 2.720 1.00 50.12 C ATOM 159 O PHE A 13 -13.305 0.736 2.782 1.00 41.14 O ATOM 160 CB PHE A 13 -15.234 2.709 1.078 1.00 72.12 C ATOM 161 CG PHE A 13 -15.958 3.594 2.073 1.00 45.03 C ATOM 162 CD1 PHE A 13 -15.274 4.108 3.193 1.00 74.10 C ATOM 163 CD2 PHE A 13 -17.303 3.942 1.852 1.00 33.22 C ATOM 164 CE1 PHE A 13 -15.936 4.969 4.084 1.00 5.12 C ATOM 165 CE2 PHE A 13 -17.950 4.833 2.722 1.00 10.44 C ATOM 166 CZ PHE A 13 -17.261 5.359 3.827 1.00 74.10 C ATOM 0 H PHE A 13 -17.284 1.381 1.148 1.00 53.24 H new ATOM 0 HA PHE A 13 -14.630 0.699 0.614 1.00 23.32 H new ATOM 0 HB2 PHE A 13 -14.203 3.054 1.003 1.00 72.12 H new ATOM 0 HB3 PHE A 13 -15.690 2.854 0.099 1.00 72.12 H new ATOM 0 HD1 PHE A 13 -14.242 3.840 3.366 1.00 74.10 H new ATOM 0 HD2 PHE A 13 -17.838 3.523 1.012 1.00 33.22 H new ATOM 0 HE1 PHE A 13 -15.427 5.331 4.965 1.00 5.12 H new ATOM 0 HE2 PHE A 13 -18.977 5.114 2.542 1.00 10.44 H new ATOM 0 HZ PHE A 13 -17.751 6.065 4.481 1.00 74.10 H new ATOM 176 N LYS A 14 -15.285 0.871 3.811 1.00 54.31 N ATOM 177 CA LYS A 14 -14.742 0.623 5.140 1.00 30.45 C ATOM 178 C LYS A 14 -14.689 -0.877 5.419 1.00 22.31 C ATOM 179 O LYS A 14 -13.640 -1.339 5.854 1.00 1.35 O ATOM 180 CB LYS A 14 -15.545 1.435 6.172 1.00 72.53 C ATOM 181 CG LYS A 14 -14.775 1.765 7.461 1.00 44.40 C ATOM 182 CD LYS A 14 -13.448 2.518 7.245 1.00 12.32 C ATOM 183 CE LYS A 14 -13.062 3.277 8.521 1.00 54.02 C ATOM 184 NZ LYS A 14 -11.636 3.663 8.560 1.00 32.13 N ATOM 0 H LYS A 14 -16.297 0.999 3.796 1.00 54.31 H new ATOM 0 HA LYS A 14 -13.709 0.965 5.211 1.00 30.45 H new ATOM 0 HB2 LYS A 14 -15.870 2.367 5.709 1.00 72.53 H new ATOM 0 HB3 LYS A 14 -16.445 0.878 6.434 1.00 72.53 H new ATOM 0 HG2 LYS A 14 -15.416 2.365 8.107 1.00 44.40 H new ATOM 0 HG3 LYS A 14 -14.567 0.836 7.992 1.00 44.40 H new ATOM 0 HD2 LYS A 14 -12.660 1.814 6.978 1.00 12.32 H new ATOM 0 HD3 LYS A 14 -13.547 3.215 6.413 1.00 12.32 H new ATOM 0 HE2 LYS A 14 -13.677 4.173 8.603 1.00 54.02 H new ATOM 0 HE3 LYS A 14 -13.287 2.656 9.388 1.00 54.02 H new ATOM 0 HZ1 LYS A 14 -11.438 4.172 9.445 1.00 32.13 H new ATOM 0 HZ2 LYS A 14 -11.044 2.809 8.511 1.00 32.13 H new ATOM 0 HZ3 LYS A 14 -11.421 4.280 7.751 1.00 32.13 H new ATOM 198 N SER A 15 -15.725 -1.650 5.067 1.00 71.24 N ATOM 199 CA SER A 15 -15.762 -3.103 5.150 1.00 65.24 C ATOM 200 C SER A 15 -14.526 -3.737 4.533 1.00 44.43 C ATOM 201 O SER A 15 -14.004 -4.697 5.108 1.00 33.24 O ATOM 202 CB SER A 15 -17.020 -3.598 4.423 1.00 25.23 C ATOM 203 OG SER A 15 -18.173 -3.318 5.200 1.00 41.44 O ATOM 0 H SER A 15 -16.593 -1.257 4.702 1.00 71.24 H new ATOM 0 HA SER A 15 -15.783 -3.393 6.201 1.00 65.24 H new ATOM 0 HB2 SER A 15 -17.101 -3.114 3.450 1.00 25.23 H new ATOM 0 HB3 SER A 15 -16.946 -4.670 4.241 1.00 25.23 H new ATOM 0 HG SER A 15 -18.971 -3.636 4.728 1.00 41.44 H new ATOM 209 N PHE A 16 -14.060 -3.241 3.377 1.00 34.53 N ATOM 210 CA PHE A 16 -12.887 -3.846 2.775 1.00 65.33 C ATOM 211 C PHE A 16 -11.605 -3.415 3.487 1.00 21.25 C ATOM 212 O PHE A 16 -10.795 -4.281 3.833 1.00 41.12 O ATOM 213 CB PHE A 16 -12.856 -3.690 1.243 1.00 10.23 C ATOM 214 CG PHE A 16 -12.070 -2.509 0.717 1.00 31.52 C ATOM 215 CD1 PHE A 16 -10.693 -2.640 0.471 1.00 25.43 C ATOM 216 CD2 PHE A 16 -12.699 -1.275 0.509 1.00 12.15 C ATOM 217 CE1 PHE A 16 -9.941 -1.529 0.061 1.00 4.43 C ATOM 218 CE2 PHE A 16 -11.947 -0.156 0.113 1.00 74.41 C ATOM 219 CZ PHE A 16 -10.565 -0.281 -0.098 1.00 65.52 C ATOM 0 H PHE A 16 -14.464 -2.456 2.866 1.00 34.53 H new ATOM 0 HA PHE A 16 -12.955 -4.923 2.928 1.00 65.33 H new ATOM 0 HB2 PHE A 16 -12.439 -4.600 0.812 1.00 10.23 H new ATOM 0 HB3 PHE A 16 -13.882 -3.608 0.884 1.00 10.23 H new ATOM 0 HD1 PHE A 16 -10.212 -3.599 0.598 1.00 25.43 H new ATOM 0 HD2 PHE A 16 -13.765 -1.183 0.653 1.00 12.15 H new ATOM 0 HE1 PHE A 16 -8.884 -1.633 -0.132 1.00 4.43 H new ATOM 0 HE2 PHE A 16 -12.432 0.799 -0.029 1.00 74.41 H new ATOM 0 HZ PHE A 16 -9.982 0.582 -0.383 1.00 65.52 H new ATOM 229 N LEU A 17 -11.425 -2.106 3.700 1.00 72.53 N ATOM 230 CA LEU A 17 -10.137 -1.556 4.115 1.00 71.10 C ATOM 231 C LEU A 17 -9.842 -1.916 5.572 1.00 70.21 C ATOM 232 O LEU A 17 -8.725 -2.296 5.911 1.00 5.14 O ATOM 233 CB LEU A 17 -10.155 -0.031 3.898 1.00 21.34 C ATOM 234 CG LEU A 17 -8.792 0.693 3.869 1.00 41.21 C ATOM 235 CD1 LEU A 17 -7.991 0.601 5.168 1.00 70.23 C ATOM 236 CD2 LEU A 17 -7.915 0.221 2.708 1.00 21.15 C ATOM 0 H LEU A 17 -12.161 -1.408 3.590 1.00 72.53 H new ATOM 0 HA LEU A 17 -9.337 -1.987 3.513 1.00 71.10 H new ATOM 0 HB2 LEU A 17 -10.665 0.170 2.956 1.00 21.34 H new ATOM 0 HB3 LEU A 17 -10.758 0.416 4.688 1.00 21.34 H new ATOM 0 HG LEU A 17 -9.060 1.741 3.732 1.00 41.21 H new ATOM 0 HD11 LEU A 17 -7.049 1.138 5.054 1.00 70.23 H new ATOM 0 HD12 LEU A 17 -8.565 1.044 5.982 1.00 70.23 H new ATOM 0 HD13 LEU A 17 -7.787 -0.445 5.396 1.00 70.23 H new ATOM 0 HD21 LEU A 17 -6.966 0.757 2.727 1.00 21.15 H new ATOM 0 HD22 LEU A 17 -7.729 -0.849 2.804 1.00 21.15 H new ATOM 0 HD23 LEU A 17 -8.424 0.418 1.764 1.00 21.15 H new ATOM 248 N ASP A 18 -10.848 -1.830 6.440 1.00 13.45 N ATOM 249 CA ASP A 18 -10.718 -2.112 7.868 1.00 70.34 C ATOM 250 C ASP A 18 -10.151 -3.513 8.087 1.00 33.11 C ATOM 251 O ASP A 18 -9.106 -3.670 8.722 1.00 11.41 O ATOM 252 CB ASP A 18 -12.086 -1.971 8.524 1.00 42.14 C ATOM 253 CG ASP A 18 -12.055 -2.360 9.996 1.00 4.31 C ATOM 254 OD1 ASP A 18 -11.550 -1.548 10.800 1.00 2.24 O ATOM 255 OD2 ASP A 18 -12.645 -3.409 10.346 1.00 63.33 O ATOM 0 H ASP A 18 -11.792 -1.558 6.166 1.00 13.45 H new ATOM 0 HA ASP A 18 -10.026 -1.402 8.321 1.00 70.34 H new ATOM 0 HB2 ASP A 18 -12.430 -0.941 8.428 1.00 42.14 H new ATOM 0 HB3 ASP A 18 -12.807 -2.598 7.998 1.00 42.14 H new ATOM 260 N LYS A 19 -10.783 -4.525 7.483 1.00 74.41 N ATOM 261 CA LYS A 19 -10.326 -5.903 7.535 1.00 14.03 C ATOM 262 C LYS A 19 -8.929 -6.067 6.959 1.00 43.33 C ATOM 263 O LYS A 19 -8.154 -6.843 7.508 1.00 50.21 O ATOM 264 CB LYS A 19 -11.309 -6.789 6.770 1.00 22.43 C ATOM 265 CG LYS A 19 -12.520 -7.160 7.632 1.00 32.52 C ATOM 266 CD LYS A 19 -13.323 -8.267 6.940 1.00 74.30 C ATOM 267 CE LYS A 19 -14.271 -8.994 7.896 1.00 53.13 C ATOM 268 NZ LYS A 19 -13.553 -9.880 8.836 1.00 3.32 N ATOM 0 H LYS A 19 -11.637 -4.400 6.939 1.00 74.41 H new ATOM 0 HA LYS A 19 -10.282 -6.202 8.582 1.00 14.03 H new ATOM 0 HB2 LYS A 19 -11.645 -6.270 5.873 1.00 22.43 H new ATOM 0 HB3 LYS A 19 -10.803 -7.697 6.442 1.00 22.43 H new ATOM 0 HG2 LYS A 19 -12.190 -7.496 8.615 1.00 32.52 H new ATOM 0 HG3 LYS A 19 -13.149 -6.284 7.789 1.00 32.52 H new ATOM 0 HD2 LYS A 19 -13.899 -7.835 6.122 1.00 74.30 H new ATOM 0 HD3 LYS A 19 -12.635 -8.988 6.499 1.00 74.30 H new ATOM 0 HE2 LYS A 19 -14.847 -8.260 8.460 1.00 53.13 H new ATOM 0 HE3 LYS A 19 -14.984 -9.583 7.319 1.00 53.13 H new ATOM 0 HZ1 LYS A 19 -14.240 -10.450 9.369 1.00 3.32 H new ATOM 0 HZ2 LYS A 19 -12.919 -10.510 8.304 1.00 3.32 H new ATOM 0 HZ3 LYS A 19 -12.994 -9.304 9.497 1.00 3.32 H new ATOM 282 N PHE A 20 -8.596 -5.363 5.876 1.00 43.23 N ATOM 283 CA PHE A 20 -7.247 -5.376 5.329 1.00 42.41 C ATOM 284 C PHE A 20 -6.248 -4.941 6.413 1.00 61.32 C ATOM 285 O PHE A 20 -5.287 -5.671 6.655 1.00 71.50 O ATOM 286 CB PHE A 20 -7.210 -4.547 4.033 1.00 14.43 C ATOM 287 CG PHE A 20 -5.838 -4.177 3.511 1.00 31.22 C ATOM 288 CD1 PHE A 20 -5.129 -3.120 4.111 1.00 73.51 C ATOM 289 CD2 PHE A 20 -5.308 -4.813 2.372 1.00 2.35 C ATOM 290 CE1 PHE A 20 -3.877 -2.736 3.614 1.00 72.41 C ATOM 291 CE2 PHE A 20 -4.053 -4.431 1.870 1.00 24.15 C ATOM 292 CZ PHE A 20 -3.335 -3.400 2.501 1.00 45.03 C ATOM 0 H PHE A 20 -9.250 -4.774 5.361 1.00 43.23 H new ATOM 0 HA PHE A 20 -6.941 -6.381 5.040 1.00 42.41 H new ATOM 0 HB2 PHE A 20 -7.733 -5.104 3.256 1.00 14.43 H new ATOM 0 HB3 PHE A 20 -7.772 -3.628 4.199 1.00 14.43 H new ATOM 0 HD1 PHE A 20 -5.552 -2.602 4.959 1.00 73.51 H new ATOM 0 HD2 PHE A 20 -5.868 -5.597 1.883 1.00 2.35 H new ATOM 0 HE1 PHE A 20 -3.330 -1.932 4.085 1.00 72.41 H new ATOM 0 HE2 PHE A 20 -3.642 -4.927 1.003 1.00 24.15 H new ATOM 0 HZ PHE A 20 -2.362 -3.117 2.128 1.00 45.03 H new ATOM 302 N THR A 21 -6.473 -3.824 7.117 1.00 45.34 N ATOM 303 CA THR A 21 -5.551 -3.392 8.173 1.00 34.53 C ATOM 304 C THR A 21 -5.561 -4.332 9.389 1.00 42.03 C ATOM 305 O THR A 21 -4.530 -4.527 10.038 1.00 33.34 O ATOM 306 CB THR A 21 -5.842 -1.942 8.593 1.00 23.11 C ATOM 307 OG1 THR A 21 -7.211 -1.628 8.806 1.00 30.25 O ATOM 308 CG2 THR A 21 -5.337 -0.968 7.530 1.00 23.31 C ATOM 0 H THR A 21 -7.275 -3.210 6.977 1.00 45.34 H new ATOM 0 HA THR A 21 -4.546 -3.437 7.753 1.00 34.53 H new ATOM 0 HB THR A 21 -5.325 -1.843 9.547 1.00 23.11 H new ATOM 0 HG1 THR A 21 -7.742 -2.452 8.792 1.00 30.25 H new ATOM 0 HG21 THR A 21 -5.551 0.054 7.842 1.00 23.31 H new ATOM 0 HG22 THR A 21 -4.261 -1.092 7.405 1.00 23.31 H new ATOM 0 HG23 THR A 21 -5.838 -1.170 6.583 1.00 23.31 H new ATOM 316 N SER A 22 -6.700 -4.958 9.678 1.00 71.43 N ATOM 317 CA SER A 22 -6.961 -5.609 10.951 1.00 62.30 C ATOM 318 C SER A 22 -6.777 -7.137 10.886 1.00 32.14 C ATOM 319 O SER A 22 -6.833 -7.790 11.930 1.00 32.43 O ATOM 320 CB SER A 22 -8.361 -5.150 11.392 1.00 25.31 C ATOM 321 OG SER A 22 -8.702 -5.531 12.713 1.00 62.30 O ATOM 0 H SER A 22 -7.477 -5.026 9.021 1.00 71.43 H new ATOM 0 HA SER A 22 -6.231 -5.316 11.705 1.00 62.30 H new ATOM 0 HB2 SER A 22 -8.418 -4.064 11.311 1.00 25.31 H new ATOM 0 HB3 SER A 22 -9.100 -5.560 10.704 1.00 25.31 H new ATOM 0 HG SER A 22 -8.185 -6.323 12.969 1.00 62.30 H new ATOM 327 N SER A 23 -6.546 -7.742 9.717 1.00 5.14 N ATOM 328 CA SER A 23 -6.285 -9.171 9.596 1.00 22.51 C ATOM 329 C SER A 23 -5.283 -9.434 8.464 1.00 33.51 C ATOM 330 O SER A 23 -5.563 -9.232 7.275 1.00 3.34 O ATOM 331 CB SER A 23 -7.605 -9.924 9.410 1.00 10.34 C ATOM 332 OG SER A 23 -8.497 -9.672 10.482 1.00 4.14 O ATOM 0 H SER A 23 -6.536 -7.247 8.825 1.00 5.14 H new ATOM 0 HA SER A 23 -5.827 -9.545 10.512 1.00 22.51 H new ATOM 0 HB2 SER A 23 -8.068 -9.623 8.470 1.00 10.34 H new ATOM 0 HB3 SER A 23 -7.409 -10.994 9.341 1.00 10.34 H new ATOM 0 HG SER A 23 -9.332 -10.164 10.336 1.00 4.14 H new ATOM 338 N ALA A 24 -4.106 -9.925 8.848 1.00 3.42 N ATOM 339 CA ALA A 24 -2.916 -10.146 8.036 1.00 34.43 C ATOM 340 C ALA A 24 -3.108 -11.187 6.930 1.00 65.40 C ATOM 341 O ALA A 24 -2.182 -11.382 6.145 1.00 41.44 O ATOM 342 CB ALA A 24 -1.797 -10.612 8.977 1.00 3.13 C ATOM 0 H ALA A 24 -3.950 -10.201 9.817 1.00 3.42 H new ATOM 0 HA ALA A 24 -2.677 -9.210 7.532 1.00 34.43 H new ATOM 0 HB1 ALA A 24 -0.888 -10.788 8.402 1.00 3.13 H new ATOM 0 HB2 ALA A 24 -1.609 -9.844 9.727 1.00 3.13 H new ATOM 0 HB3 ALA A 24 -2.098 -11.536 9.471 1.00 3.13 H new ATOM 348 N ALA A 25 -4.255 -11.868 6.839 1.00 45.32 N ATOM 349 CA ALA A 25 -4.580 -12.787 5.747 1.00 4.35 C ATOM 350 C ALA A 25 -5.834 -12.359 4.975 1.00 24.12 C ATOM 351 O ALA A 25 -6.227 -13.031 4.014 1.00 71.13 O ATOM 352 CB ALA A 25 -4.677 -14.215 6.284 1.00 61.54 C ATOM 0 H ALA A 25 -4.996 -11.793 7.536 1.00 45.32 H new ATOM 0 HA ALA A 25 -3.771 -12.754 5.018 1.00 4.35 H new ATOM 0 HB1 ALA A 25 -4.919 -14.895 5.467 1.00 61.54 H new ATOM 0 HB2 ALA A 25 -3.723 -14.503 6.726 1.00 61.54 H new ATOM 0 HB3 ALA A 25 -5.458 -14.266 7.042 1.00 61.54 H new ATOM 358 N PHE A 26 -6.432 -11.222 5.337 1.00 54.32 N ATOM 359 CA PHE A 26 -7.471 -10.551 4.557 1.00 43.20 C ATOM 360 C PHE A 26 -6.840 -9.541 3.600 1.00 30.43 C ATOM 361 O PHE A 26 -7.452 -9.207 2.586 1.00 25.51 O ATOM 362 CB PHE A 26 -8.503 -9.864 5.471 1.00 61.21 C ATOM 363 CG PHE A 26 -9.903 -10.442 5.370 1.00 61.11 C ATOM 364 CD1 PHE A 26 -10.617 -10.333 4.161 1.00 43.34 C ATOM 365 CD2 PHE A 26 -10.493 -11.093 6.473 1.00 3.02 C ATOM 366 CE1 PHE A 26 -11.903 -10.890 4.047 1.00 61.14 C ATOM 367 CE2 PHE A 26 -11.779 -11.654 6.358 1.00 62.54 C ATOM 368 CZ PHE A 26 -12.481 -11.555 5.143 1.00 42.20 C ATOM 0 H PHE A 26 -6.201 -10.732 6.201 1.00 54.32 H new ATOM 0 HA PHE A 26 -7.999 -11.306 3.974 1.00 43.20 H new ATOM 0 HB2 PHE A 26 -8.164 -9.939 6.504 1.00 61.21 H new ATOM 0 HB3 PHE A 26 -8.541 -8.803 5.225 1.00 61.21 H new ATOM 0 HD1 PHE A 26 -10.176 -9.820 3.319 1.00 43.34 H new ATOM 0 HD2 PHE A 26 -9.957 -11.161 7.408 1.00 3.02 H new ATOM 0 HE1 PHE A 26 -12.447 -10.807 3.118 1.00 61.14 H new ATOM 0 HE2 PHE A 26 -12.226 -12.160 7.201 1.00 62.54 H new ATOM 0 HZ PHE A 26 -13.465 -11.990 5.052 1.00 42.20 H new ATOM 378 N GLN A 27 -5.612 -9.090 3.879 1.00 65.33 N ATOM 379 CA GLN A 27 -4.863 -8.261 2.951 1.00 45.04 C ATOM 380 C GLN A 27 -4.550 -9.015 1.638 1.00 70.30 C ATOM 381 O GLN A 27 -5.008 -8.611 0.568 1.00 4.25 O ATOM 382 CB GLN A 27 -3.775 -7.446 3.675 1.00 33.34 C ATOM 383 CG GLN A 27 -2.655 -8.026 4.522 1.00 43.43 C ATOM 384 CD GLN A 27 -1.849 -6.843 5.080 1.00 64.30 C ATOM 385 OE1 GLN A 27 -0.902 -6.413 4.441 1.00 70.41 O ATOM 386 NE2 GLN A 27 -2.177 -6.296 6.236 1.00 14.33 N ATOM 0 H GLN A 27 -5.120 -9.292 4.749 1.00 65.33 H new ATOM 0 HA GLN A 27 -5.468 -7.447 2.551 1.00 45.04 H new ATOM 0 HB2 GLN A 27 -3.286 -6.852 2.903 1.00 33.34 H new ATOM 0 HB3 GLN A 27 -4.307 -6.750 4.323 1.00 33.34 H new ATOM 0 HG2 GLN A 27 -3.060 -8.632 5.332 1.00 43.43 H new ATOM 0 HG3 GLN A 27 -2.018 -8.678 3.924 1.00 43.43 H new ATOM 0 HE21 GLN A 27 -2.969 -6.659 6.766 1.00 14.33 H new ATOM 0 HE22 GLN A 27 -1.638 -5.510 6.599 1.00 14.33 H new ATOM 395 N TYR A 28 -3.940 -10.203 1.700 1.00 71.31 N ATOM 396 CA TYR A 28 -3.334 -10.945 0.571 1.00 1.12 C ATOM 397 C TYR A 28 -4.315 -11.530 -0.458 1.00 70.12 C ATOM 398 O TYR A 28 -3.933 -12.334 -1.314 1.00 73.42 O ATOM 399 CB TYR A 28 -2.450 -12.059 1.139 1.00 73.42 C ATOM 400 CG TYR A 28 -1.240 -11.537 1.868 1.00 25.35 C ATOM 401 CD1 TYR A 28 -1.382 -11.026 3.167 1.00 52.44 C ATOM 402 CD2 TYR A 28 0.021 -11.530 1.237 1.00 11.12 C ATOM 403 CE1 TYR A 28 -0.246 -10.556 3.836 1.00 53.31 C ATOM 404 CE2 TYR A 28 1.164 -11.093 1.931 1.00 43.24 C ATOM 405 CZ TYR A 28 1.034 -10.615 3.253 1.00 65.22 C ATOM 406 OH TYR A 28 2.108 -10.228 3.995 1.00 12.32 O ATOM 0 H TYR A 28 -3.847 -10.706 2.582 1.00 71.31 H new ATOM 0 HA TYR A 28 -2.763 -10.208 0.007 1.00 1.12 H new ATOM 0 HB2 TYR A 28 -3.041 -12.672 1.820 1.00 73.42 H new ATOM 0 HB3 TYR A 28 -2.125 -12.708 0.326 1.00 73.42 H new ATOM 0 HD1 TYR A 28 -2.351 -10.996 3.642 1.00 52.44 H new ATOM 0 HD2 TYR A 28 0.110 -11.863 0.213 1.00 11.12 H new ATOM 0 HE1 TYR A 28 -0.354 -10.137 4.826 1.00 53.31 H new ATOM 0 HE2 TYR A 28 2.134 -11.123 1.456 1.00 43.24 H new ATOM 0 HH TYR A 28 2.679 -9.637 3.461 1.00 12.32 H new ATOM 416 N THR A 29 -5.586 -11.173 -0.371 1.00 41.34 N ATOM 417 CA THR A 29 -6.706 -11.714 -1.130 1.00 1.11 C ATOM 418 C THR A 29 -7.467 -10.556 -1.822 1.00 11.01 C ATOM 419 O THR A 29 -8.494 -10.764 -2.474 1.00 51.31 O ATOM 420 CB THR A 29 -7.485 -12.624 -0.144 1.00 10.15 C ATOM 421 OG1 THR A 29 -8.641 -13.234 -0.683 1.00 10.01 O ATOM 422 CG2 THR A 29 -7.838 -11.916 1.170 1.00 33.32 C ATOM 0 H THR A 29 -5.885 -10.445 0.278 1.00 41.34 H new ATOM 0 HA THR A 29 -6.438 -12.348 -1.975 1.00 1.11 H new ATOM 0 HB THR A 29 -6.776 -13.425 0.064 1.00 10.15 H new ATOM 0 HG1 THR A 29 -9.000 -12.676 -1.404 1.00 10.01 H new ATOM 0 HG21 THR A 29 -8.382 -12.603 1.819 1.00 33.32 H new ATOM 0 HG22 THR A 29 -6.923 -11.595 1.668 1.00 33.32 H new ATOM 0 HG23 THR A 29 -8.460 -11.046 0.959 1.00 33.32 H new ATOM 430 N ARG A 30 -6.964 -9.315 -1.693 1.00 74.22 N ATOM 431 CA ARG A 30 -7.561 -8.068 -2.184 1.00 30.41 C ATOM 432 C ARG A 30 -6.485 -7.216 -2.863 1.00 74.53 C ATOM 433 O ARG A 30 -6.485 -5.988 -2.757 1.00 31.43 O ATOM 434 CB ARG A 30 -8.276 -7.365 -1.012 1.00 31.15 C ATOM 435 CG ARG A 30 -9.454 -8.232 -0.549 1.00 23.25 C ATOM 436 CD ARG A 30 -10.246 -7.674 0.624 1.00 2.11 C ATOM 437 NE ARG A 30 -11.390 -8.573 0.865 1.00 5.24 N ATOM 438 CZ ARG A 30 -12.558 -8.180 1.372 1.00 34.14 C ATOM 439 NH1 ARG A 30 -12.623 -7.097 2.128 1.00 44.24 N ATOM 440 NH2 ARG A 30 -13.666 -8.871 1.129 1.00 1.22 N ATOM 0 H ARG A 30 -6.078 -9.150 -1.215 1.00 74.22 H new ATOM 0 HA ARG A 30 -8.317 -8.258 -2.946 1.00 30.41 H new ATOM 0 HB2 ARG A 30 -7.580 -7.206 -0.188 1.00 31.15 H new ATOM 0 HB3 ARG A 30 -8.632 -6.383 -1.323 1.00 31.15 H new ATOM 0 HG2 ARG A 30 -10.132 -8.374 -1.390 1.00 23.25 H new ATOM 0 HG3 ARG A 30 -9.075 -9.216 -0.275 1.00 23.25 H new ATOM 0 HD2 ARG A 30 -9.618 -7.609 1.512 1.00 2.11 H new ATOM 0 HD3 ARG A 30 -10.593 -6.664 0.404 1.00 2.11 H new ATOM 0 HE ARG A 30 -11.280 -9.559 0.628 1.00 5.24 H new ATOM 0 HH11 ARG A 30 -11.778 -6.560 2.324 1.00 44.24 H new ATOM 0 HH12 ARG A 30 -13.518 -6.798 2.515 1.00 44.24 H new ATOM 0 HH21 ARG A 30 -13.627 -9.710 0.550 1.00 1.22 H new ATOM 0 HH22 ARG A 30 -14.556 -8.563 1.521 1.00 1.22 H new ATOM 454 N VAL A 31 -5.546 -7.870 -3.550 1.00 3.35 N ATOM 455 CA VAL A 31 -4.382 -7.259 -4.186 1.00 25.12 C ATOM 456 C VAL A 31 -4.210 -7.910 -5.563 1.00 25.24 C ATOM 457 O VAL A 31 -4.290 -9.135 -5.704 1.00 62.13 O ATOM 458 CB VAL A 31 -3.149 -7.470 -3.281 1.00 74.43 C ATOM 459 CG1 VAL A 31 -1.868 -6.814 -3.781 1.00 44.52 C ATOM 460 CG2 VAL A 31 -3.358 -6.962 -1.846 1.00 52.03 C ATOM 0 H VAL A 31 -5.579 -8.881 -3.682 1.00 3.35 H new ATOM 0 HA VAL A 31 -4.507 -6.185 -4.321 1.00 25.12 H new ATOM 0 HB VAL A 31 -3.036 -8.554 -3.305 1.00 74.43 H new ATOM 0 HG11 VAL A 31 -1.058 -7.017 -3.081 1.00 44.52 H new ATOM 0 HG12 VAL A 31 -1.611 -7.218 -4.760 1.00 44.52 H new ATOM 0 HG13 VAL A 31 -2.018 -5.737 -3.860 1.00 44.52 H new ATOM 0 HG21 VAL A 31 -2.455 -7.140 -1.262 1.00 52.03 H new ATOM 0 HG22 VAL A 31 -3.573 -5.894 -1.866 1.00 52.03 H new ATOM 0 HG23 VAL A 31 -4.195 -7.492 -1.391 1.00 52.03 H new ATOM 470 N LYS A 32 -4.007 -7.100 -6.593 1.00 70.31 N ATOM 471 CA LYS A 32 -3.687 -7.525 -7.960 1.00 22.14 C ATOM 472 C LYS A 32 -2.190 -7.381 -8.202 1.00 42.50 C ATOM 473 O LYS A 32 -1.526 -6.660 -7.465 1.00 44.21 O ATOM 474 CB LYS A 32 -4.432 -6.657 -8.975 1.00 25.42 C ATOM 475 CG LYS A 32 -5.944 -6.890 -8.997 1.00 5.14 C ATOM 476 CD LYS A 32 -6.334 -8.222 -9.646 1.00 23.45 C ATOM 477 CE LYS A 32 -7.857 -8.305 -9.731 1.00 41.52 C ATOM 478 NZ LYS A 32 -8.318 -9.553 -10.364 1.00 71.41 N ATOM 0 H LYS A 32 -4.062 -6.086 -6.501 1.00 70.31 H new ATOM 0 HA LYS A 32 -3.990 -8.565 -8.079 1.00 22.14 H new ATOM 0 HB2 LYS A 32 -4.239 -5.608 -8.752 1.00 25.42 H new ATOM 0 HB3 LYS A 32 -4.030 -6.851 -9.969 1.00 25.42 H new ATOM 0 HG2 LYS A 32 -6.325 -6.864 -7.976 1.00 5.14 H new ATOM 0 HG3 LYS A 32 -6.424 -6.074 -9.537 1.00 5.14 H new ATOM 0 HD2 LYS A 32 -5.896 -8.299 -10.641 1.00 23.45 H new ATOM 0 HD3 LYS A 32 -5.943 -9.055 -9.061 1.00 23.45 H new ATOM 0 HE2 LYS A 32 -8.278 -8.232 -8.728 1.00 41.52 H new ATOM 0 HE3 LYS A 32 -8.233 -7.453 -10.297 1.00 41.52 H new ATOM 0 HZ1 LYS A 32 -9.357 -9.562 -10.398 1.00 71.41 H new ATOM 0 HZ2 LYS A 32 -7.939 -9.612 -11.331 1.00 71.41 H new ATOM 0 HZ3 LYS A 32 -7.983 -10.367 -9.810 1.00 71.41 H new ATOM 492 N PHE A 33 -1.659 -8.015 -9.239 1.00 64.41 N ATOM 493 CA PHE A 33 -0.278 -7.800 -9.676 1.00 4.14 C ATOM 494 C PHE A 33 -0.216 -7.903 -11.206 1.00 12.44 C ATOM 495 O PHE A 33 -1.141 -8.477 -11.793 1.00 1.33 O ATOM 496 CB PHE A 33 0.666 -8.813 -8.993 1.00 74.01 C ATOM 497 CG PHE A 33 0.832 -8.585 -7.501 1.00 72.40 C ATOM 498 CD1 PHE A 33 1.665 -7.552 -7.030 1.00 42.30 C ATOM 499 CD2 PHE A 33 0.093 -9.355 -6.582 1.00 13.43 C ATOM 500 CE1 PHE A 33 1.738 -7.275 -5.655 1.00 74.13 C ATOM 501 CE2 PHE A 33 0.166 -9.081 -5.205 1.00 2.31 C ATOM 502 CZ PHE A 33 0.983 -8.032 -4.747 1.00 4.53 C ATOM 0 H PHE A 33 -2.170 -8.694 -9.804 1.00 64.41 H new ATOM 0 HA PHE A 33 0.055 -6.804 -9.383 1.00 4.14 H new ATOM 0 HB2 PHE A 33 0.283 -9.820 -9.157 1.00 74.01 H new ATOM 0 HB3 PHE A 33 1.645 -8.763 -9.470 1.00 74.01 H new ATOM 0 HD1 PHE A 33 2.249 -6.971 -7.728 1.00 42.30 H new ATOM 0 HD2 PHE A 33 -0.533 -10.160 -6.937 1.00 13.43 H new ATOM 0 HE1 PHE A 33 2.375 -6.480 -5.297 1.00 74.13 H new ATOM 0 HE2 PHE A 33 -0.402 -9.673 -4.503 1.00 2.31 H new ATOM 0 HZ PHE A 33 1.029 -7.808 -3.691 1.00 4.53 H new ATOM 512 N PRO A 34 0.849 -7.409 -11.865 1.00 25.35 N ATOM 513 CA PRO A 34 1.888 -6.539 -11.309 1.00 30.22 C ATOM 514 C PRO A 34 1.335 -5.162 -10.927 1.00 74.24 C ATOM 515 O PRO A 34 0.267 -4.777 -11.408 1.00 11.23 O ATOM 516 CB PRO A 34 2.959 -6.446 -12.398 1.00 10.13 C ATOM 517 CG PRO A 34 2.186 -6.659 -13.692 1.00 22.43 C ATOM 518 CD PRO A 34 1.057 -7.604 -13.290 1.00 2.15 C ATOM 0 HA PRO A 34 2.296 -6.942 -10.382 1.00 30.22 H new ATOM 0 HB2 PRO A 34 3.458 -5.477 -12.386 1.00 10.13 H new ATOM 0 HB3 PRO A 34 3.731 -7.204 -12.265 1.00 10.13 H new ATOM 0 HG2 PRO A 34 1.800 -5.719 -14.087 1.00 22.43 H new ATOM 0 HG3 PRO A 34 2.816 -7.095 -14.467 1.00 22.43 H new ATOM 0 HD2 PRO A 34 0.148 -7.383 -13.849 1.00 2.15 H new ATOM 0 HD3 PRO A 34 1.321 -8.639 -13.506 1.00 2.15 H new ATOM 526 N LEU A 35 2.046 -4.460 -10.039 1.00 21.34 N ATOM 527 CA LEU A 35 1.678 -3.126 -9.566 1.00 74.10 C ATOM 528 C LEU A 35 2.177 -2.059 -10.537 1.00 1.21 C ATOM 529 O LEU A 35 2.980 -2.340 -11.434 1.00 31.03 O ATOM 530 CB LEU A 35 2.259 -2.847 -8.167 1.00 32.44 C ATOM 531 CG LEU A 35 1.834 -3.816 -7.055 1.00 33.31 C ATOM 532 CD1 LEU A 35 2.430 -3.384 -5.724 1.00 22.21 C ATOM 533 CD2 LEU A 35 0.339 -4.024 -6.904 1.00 25.24 C ATOM 0 H LEU A 35 2.908 -4.811 -9.623 1.00 21.34 H new ATOM 0 HA LEU A 35 0.590 -3.089 -9.508 1.00 74.10 H new ATOM 0 HB2 LEU A 35 3.347 -2.861 -8.238 1.00 32.44 H new ATOM 0 HB3 LEU A 35 1.972 -1.838 -7.871 1.00 32.44 H new ATOM 0 HG LEU A 35 2.228 -4.784 -7.366 1.00 33.31 H new ATOM 0 HD11 LEU A 35 2.121 -4.080 -4.944 1.00 22.21 H new ATOM 0 HD12 LEU A 35 3.518 -3.380 -5.796 1.00 22.21 H new ATOM 0 HD13 LEU A 35 2.079 -2.382 -5.476 1.00 22.21 H new ATOM 0 HD21 LEU A 35 0.149 -4.726 -6.092 1.00 25.24 H new ATOM 0 HD22 LEU A 35 -0.140 -3.071 -6.680 1.00 25.24 H new ATOM 0 HD23 LEU A 35 -0.068 -4.425 -7.832 1.00 25.24 H new ATOM 545 N LYS A 36 1.728 -0.822 -10.329 1.00 73.04 N ATOM 546 CA LYS A 36 2.114 0.335 -11.153 1.00 23.24 C ATOM 547 C LYS A 36 3.523 0.753 -10.785 1.00 22.02 C ATOM 548 O LYS A 36 4.400 0.861 -11.648 1.00 71.20 O ATOM 549 CB LYS A 36 1.157 1.530 -10.943 1.00 65.33 C ATOM 550 CG LYS A 36 -0.321 1.142 -11.002 1.00 63.14 C ATOM 551 CD LYS A 36 -0.692 0.646 -12.401 1.00 12.25 C ATOM 552 CE LYS A 36 -2.151 0.207 -12.477 1.00 30.43 C ATOM 553 NZ LYS A 36 -2.442 -0.318 -13.826 1.00 3.53 N ATOM 0 H LYS A 36 1.079 -0.587 -9.578 1.00 73.04 H new ATOM 0 HA LYS A 36 2.060 0.041 -12.201 1.00 23.24 H new ATOM 0 HB2 LYS A 36 1.366 1.988 -9.976 1.00 65.33 H new ATOM 0 HB3 LYS A 36 1.358 2.285 -11.704 1.00 65.33 H new ATOM 0 HG2 LYS A 36 -0.528 0.364 -10.268 1.00 63.14 H new ATOM 0 HG3 LYS A 36 -0.939 2.001 -10.739 1.00 63.14 H new ATOM 0 HD2 LYS A 36 -0.512 1.439 -13.127 1.00 12.25 H new ATOM 0 HD3 LYS A 36 -0.046 -0.189 -12.674 1.00 12.25 H new ATOM 0 HE2 LYS A 36 -2.350 -0.559 -11.727 1.00 30.43 H new ATOM 0 HE3 LYS A 36 -2.806 1.049 -12.255 1.00 30.43 H new ATOM 0 HZ1 LYS A 36 -3.437 -0.617 -13.875 1.00 3.53 H new ATOM 0 HZ2 LYS A 36 -2.268 0.425 -14.533 1.00 3.53 H new ATOM 0 HZ3 LYS A 36 -1.826 -1.133 -14.022 1.00 3.53 H new ATOM 567 N THR A 37 3.715 0.932 -9.486 1.00 63.24 N ATOM 568 CA THR A 37 4.925 1.372 -8.824 1.00 33.01 C ATOM 569 C THR A 37 5.517 0.173 -8.066 1.00 64.34 C ATOM 570 O THR A 37 5.338 0.038 -6.854 1.00 53.53 O ATOM 571 CB THR A 37 4.615 2.572 -7.905 1.00 64.03 C ATOM 572 OG1 THR A 37 3.610 3.412 -8.449 1.00 71.43 O ATOM 573 CG2 THR A 37 5.892 3.378 -7.668 1.00 70.34 C ATOM 0 H THR A 37 2.965 0.758 -8.818 1.00 63.24 H new ATOM 0 HA THR A 37 5.667 1.721 -9.543 1.00 33.01 H new ATOM 0 HB THR A 37 4.239 2.180 -6.960 1.00 64.03 H new ATOM 0 HG1 THR A 37 2.775 3.288 -7.951 1.00 71.43 H new ATOM 0 HG21 THR A 37 5.672 4.225 -7.019 1.00 70.34 H new ATOM 0 HG22 THR A 37 6.641 2.743 -7.195 1.00 70.34 H new ATOM 0 HG23 THR A 37 6.275 3.741 -8.622 1.00 70.34 H new ATOM 581 N PRO A 38 6.181 -0.770 -8.746 1.00 71.30 N ATOM 582 CA PRO A 38 6.933 -1.820 -8.074 1.00 74.24 C ATOM 583 C PRO A 38 8.037 -1.222 -7.193 1.00 70.44 C ATOM 584 O PRO A 38 8.279 -0.016 -7.200 1.00 3.15 O ATOM 585 CB PRO A 38 7.509 -2.679 -9.202 1.00 3.22 C ATOM 586 CG PRO A 38 7.591 -1.709 -10.372 1.00 70.42 C ATOM 587 CD PRO A 38 6.386 -0.821 -10.176 1.00 70.22 C ATOM 0 HA PRO A 38 6.310 -2.411 -7.403 1.00 74.24 H new ATOM 0 HB2 PRO A 38 8.489 -3.080 -8.942 1.00 3.22 H new ATOM 0 HB3 PRO A 38 6.866 -3.530 -9.429 1.00 3.22 H new ATOM 0 HG2 PRO A 38 8.519 -1.137 -10.355 1.00 70.42 H new ATOM 0 HG3 PRO A 38 7.555 -2.230 -11.329 1.00 70.42 H new ATOM 0 HD2 PRO A 38 6.560 0.174 -10.585 1.00 70.22 H new ATOM 0 HD3 PRO A 38 5.511 -1.226 -10.685 1.00 70.22 H new ATOM 595 N ILE A 39 8.741 -2.092 -6.473 1.00 64.24 N ATOM 596 CA ILE A 39 9.996 -1.768 -5.821 1.00 50.41 C ATOM 597 C ILE A 39 10.909 -1.210 -6.898 1.00 10.12 C ATOM 598 O ILE A 39 11.103 -1.872 -7.926 1.00 12.25 O ATOM 599 CB ILE A 39 10.619 -3.036 -5.201 1.00 2.33 C ATOM 600 CG1 ILE A 39 9.678 -3.610 -4.127 1.00 12.52 C ATOM 601 CG2 ILE A 39 12.033 -2.754 -4.654 1.00 54.42 C ATOM 602 CD1 ILE A 39 10.067 -5.021 -3.704 1.00 50.51 C ATOM 0 H ILE A 39 8.446 -3.057 -6.327 1.00 64.24 H new ATOM 0 HA ILE A 39 9.847 -1.048 -5.017 1.00 50.41 H new ATOM 0 HB ILE A 39 10.736 -3.791 -5.979 1.00 2.33 H new ATOM 0 HG12 ILE A 39 9.687 -2.957 -3.254 1.00 12.52 H new ATOM 0 HG13 ILE A 39 8.657 -3.617 -4.509 1.00 12.52 H new ATOM 0 HG21 ILE A 39 12.445 -3.667 -4.224 1.00 54.42 H new ATOM 0 HG22 ILE A 39 12.676 -2.413 -5.466 1.00 54.42 H new ATOM 0 HG23 ILE A 39 11.979 -1.983 -3.886 1.00 54.42 H new ATOM 0 HD11 ILE A 39 9.371 -5.378 -2.945 1.00 50.51 H new ATOM 0 HD12 ILE A 39 10.032 -5.683 -4.569 1.00 50.51 H new ATOM 0 HD13 ILE A 39 11.077 -5.013 -3.295 1.00 50.51 H new ATOM 614 N THR A 40 11.487 -0.050 -6.622 1.00 32.23 N ATOM 615 CA THR A 40 12.666 0.461 -7.289 1.00 31.01 C ATOM 616 C THR A 40 13.817 0.296 -6.298 1.00 1.43 C ATOM 617 O THR A 40 13.605 0.255 -5.082 1.00 73.40 O ATOM 618 CB THR A 40 12.454 1.935 -7.686 1.00 71.32 C ATOM 619 OG1 THR A 40 11.120 2.157 -8.102 1.00 52.54 O ATOM 620 CG2 THR A 40 13.360 2.325 -8.855 1.00 21.24 C ATOM 0 H THR A 40 11.132 0.580 -5.902 1.00 32.23 H new ATOM 0 HA THR A 40 12.881 -0.076 -8.213 1.00 31.01 H new ATOM 0 HB THR A 40 12.688 2.534 -6.806 1.00 71.32 H new ATOM 0 HG1 THR A 40 10.897 3.105 -7.994 1.00 52.54 H new ATOM 0 HG21 THR A 40 13.190 3.370 -9.114 1.00 21.24 H new ATOM 0 HG22 THR A 40 14.403 2.187 -8.569 1.00 21.24 H new ATOM 0 HG23 THR A 40 13.134 1.696 -9.716 1.00 21.24 H new ATOM 628 N LEU A 41 15.030 0.170 -6.815 1.00 41.51 N ATOM 629 CA LEU A 41 16.286 0.280 -6.094 1.00 4.53 C ATOM 630 C LEU A 41 17.336 0.693 -7.127 1.00 63.10 C ATOM 631 O LEU A 41 17.104 0.570 -8.340 1.00 41.20 O ATOM 632 CB LEU A 41 16.633 -1.020 -5.341 1.00 63.41 C ATOM 633 CG LEU A 41 16.305 -2.344 -6.055 1.00 52.30 C ATOM 634 CD1 LEU A 41 17.123 -2.515 -7.332 1.00 3.14 C ATOM 635 CD2 LEU A 41 16.552 -3.524 -5.111 1.00 23.23 C ATOM 0 H LEU A 41 15.170 -0.023 -7.807 1.00 41.51 H new ATOM 0 HA LEU A 41 16.232 1.030 -5.305 1.00 4.53 H new ATOM 0 HB2 LEU A 41 17.700 -1.009 -5.118 1.00 63.41 H new ATOM 0 HB3 LEU A 41 16.108 -1.010 -4.386 1.00 63.41 H new ATOM 0 HG LEU A 41 15.252 -2.318 -6.337 1.00 52.30 H new ATOM 0 HD11 LEU A 41 16.863 -3.461 -7.807 1.00 3.14 H new ATOM 0 HD12 LEU A 41 16.906 -1.694 -8.016 1.00 3.14 H new ATOM 0 HD13 LEU A 41 18.185 -2.512 -7.087 1.00 3.14 H new ATOM 0 HD21 LEU A 41 16.317 -4.456 -5.625 1.00 23.23 H new ATOM 0 HD22 LEU A 41 17.598 -3.532 -4.804 1.00 23.23 H new ATOM 0 HD23 LEU A 41 15.917 -3.425 -4.231 1.00 23.23 H new ATOM 647 N LEU A 42 18.489 1.186 -6.670 1.00 34.31 N ATOM 648 CA LEU A 42 19.577 1.467 -7.592 1.00 43.50 C ATOM 649 C LEU A 42 20.198 0.147 -8.002 1.00 34.23 C ATOM 650 O LEU A 42 20.520 -0.699 -7.167 1.00 12.52 O ATOM 651 CB LEU A 42 20.652 2.399 -7.005 1.00 12.25 C ATOM 652 CG LEU A 42 20.513 3.879 -7.410 1.00 50.40 C ATOM 653 CD1 LEU A 42 20.630 4.067 -8.931 1.00 10.12 C ATOM 654 CD2 LEU A 42 19.200 4.499 -6.927 1.00 30.34 C ATOM 0 H LEU A 42 18.686 1.393 -5.691 1.00 34.31 H new ATOM 0 HA LEU A 42 19.163 1.996 -8.450 1.00 43.50 H new ATOM 0 HB2 LEU A 42 20.619 2.330 -5.918 1.00 12.25 H new ATOM 0 HB3 LEU A 42 21.633 2.042 -7.318 1.00 12.25 H new ATOM 0 HG LEU A 42 21.338 4.396 -6.920 1.00 50.40 H new ATOM 0 HD11 LEU A 42 20.527 5.124 -9.176 1.00 10.12 H new ATOM 0 HD12 LEU A 42 21.603 3.710 -9.268 1.00 10.12 H new ATOM 0 HD13 LEU A 42 19.843 3.501 -9.429 1.00 10.12 H new ATOM 0 HD21 LEU A 42 19.154 5.542 -7.239 1.00 30.34 H new ATOM 0 HD22 LEU A 42 18.360 3.954 -7.357 1.00 30.34 H new ATOM 0 HD23 LEU A 42 19.150 4.443 -5.840 1.00 30.34 H new ATOM 666 N ALA A 43 20.417 0.011 -9.300 1.00 73.31 N ATOM 667 CA ALA A 43 21.239 -1.009 -9.897 1.00 33.35 C ATOM 668 C ALA A 43 22.654 -0.958 -9.343 1.00 73.03 C ATOM 669 O ALA A 43 23.082 0.021 -8.731 1.00 2.45 O ATOM 670 CB ALA A 43 21.283 -0.764 -11.397 1.00 73.22 C ATOM 0 H ALA A 43 20.005 0.640 -9.989 1.00 73.31 H new ATOM 0 HA ALA A 43 20.817 -1.989 -9.672 1.00 33.35 H new ATOM 0 HB1 ALA A 43 21.901 -1.526 -11.872 1.00 73.22 H new ATOM 0 HB2 ALA A 43 20.273 -0.811 -11.803 1.00 73.22 H new ATOM 0 HB3 ALA A 43 21.707 0.221 -11.593 1.00 73.22 H new ATOM 676 N ASP A 44 23.413 -1.987 -9.694 1.00 30.05 N ATOM 677 CA ASP A 44 24.794 -2.181 -9.267 1.00 52.44 C ATOM 678 C ASP A 44 25.714 -1.051 -9.755 1.00 62.11 C ATOM 679 O ASP A 44 26.758 -0.770 -9.167 1.00 25.15 O ATOM 680 CB ASP A 44 25.236 -3.542 -9.808 1.00 62.10 C ATOM 681 CG ASP A 44 26.468 -4.063 -9.088 1.00 65.20 C ATOM 682 OD1 ASP A 44 26.299 -4.581 -7.959 1.00 4.54 O ATOM 683 OD2 ASP A 44 27.557 -4.044 -9.709 1.00 14.44 O ATOM 0 H ASP A 44 23.075 -2.733 -10.302 1.00 30.05 H new ATOM 0 HA ASP A 44 24.861 -2.157 -8.179 1.00 52.44 H new ATOM 0 HB2 ASP A 44 24.422 -4.258 -9.699 1.00 62.10 H new ATOM 0 HB3 ASP A 44 25.446 -3.458 -10.874 1.00 62.10 H new ATOM 688 N ASP A 45 25.302 -0.380 -10.831 1.00 4.22 N ATOM 689 CA ASP A 45 25.938 0.786 -11.443 1.00 4.13 C ATOM 690 C ASP A 45 25.755 2.060 -10.603 1.00 21.41 C ATOM 691 O ASP A 45 26.588 2.963 -10.625 1.00 73.43 O ATOM 692 CB ASP A 45 25.319 0.952 -12.817 1.00 41.33 C ATOM 693 CG ASP A 45 26.025 1.906 -13.780 1.00 4.53 C ATOM 694 OD1 ASP A 45 27.222 2.205 -13.623 1.00 4.13 O ATOM 695 OD2 ASP A 45 25.366 2.283 -14.773 1.00 52.14 O ATOM 0 H ASP A 45 24.457 -0.656 -11.332 1.00 4.22 H new ATOM 0 HA ASP A 45 27.015 0.628 -11.509 1.00 4.13 H new ATOM 0 HB2 ASP A 45 25.268 -0.030 -13.288 1.00 41.33 H new ATOM 0 HB3 ASP A 45 24.293 1.297 -12.688 1.00 41.33 H new ATOM 700 N GLY A 46 24.671 2.143 -9.827 1.00 52.33 N ATOM 701 CA GLY A 46 24.333 3.324 -9.039 1.00 21.23 C ATOM 702 C GLY A 46 23.756 4.467 -9.869 1.00 33.05 C ATOM 703 O GLY A 46 23.654 5.583 -9.368 1.00 30.33 O ATOM 0 H GLY A 46 23.998 1.382 -9.729 1.00 52.33 H new ATOM 0 HA2 GLY A 46 23.612 3.044 -8.271 1.00 21.23 H new ATOM 0 HA3 GLY A 46 25.227 3.675 -8.524 1.00 21.23 H new ATOM 707 N GLU A 47 23.373 4.204 -11.119 1.00 31.34 N ATOM 708 CA GLU A 47 22.890 5.199 -12.078 1.00 43.30 C ATOM 709 C GLU A 47 21.611 4.735 -12.795 1.00 70.43 C ATOM 710 O GLU A 47 21.011 5.493 -13.557 1.00 11.45 O ATOM 711 CB GLU A 47 24.034 5.452 -13.070 1.00 24.15 C ATOM 712 CG GLU A 47 25.136 6.364 -12.497 1.00 11.53 C ATOM 713 CD GLU A 47 24.795 7.850 -12.656 1.00 74.34 C ATOM 714 OE1 GLU A 47 24.619 8.277 -13.822 1.00 51.24 O ATOM 715 OE2 GLU A 47 24.760 8.602 -11.653 1.00 75.14 O ATOM 0 H GLU A 47 23.391 3.260 -11.505 1.00 31.34 H new ATOM 0 HA GLU A 47 22.616 6.119 -11.563 1.00 43.30 H new ATOM 0 HB2 GLU A 47 24.474 4.498 -13.360 1.00 24.15 H new ATOM 0 HB3 GLU A 47 23.629 5.905 -13.975 1.00 24.15 H new ATOM 0 HG2 GLU A 47 25.281 6.137 -11.441 1.00 11.53 H new ATOM 0 HG3 GLU A 47 26.079 6.153 -13.001 1.00 11.53 H new ATOM 722 N THR A 48 21.162 3.505 -12.533 1.00 62.12 N ATOM 723 CA THR A 48 19.952 2.930 -13.097 1.00 4.41 C ATOM 724 C THR A 48 19.020 2.640 -11.930 1.00 22.12 C ATOM 725 O THR A 48 19.289 1.736 -11.143 1.00 61.13 O ATOM 726 CB THR A 48 20.252 1.637 -13.883 1.00 3.42 C ATOM 727 OG1 THR A 48 21.537 1.624 -14.473 1.00 44.22 O ATOM 728 CG2 THR A 48 19.196 1.335 -14.945 1.00 63.41 C ATOM 0 H THR A 48 21.649 2.868 -11.903 1.00 62.12 H new ATOM 0 HA THR A 48 19.498 3.624 -13.804 1.00 4.41 H new ATOM 0 HB THR A 48 20.223 0.849 -13.131 1.00 3.42 H new ATOM 0 HG1 THR A 48 21.668 0.780 -14.954 1.00 44.22 H new ATOM 0 HG21 THR A 48 19.458 0.415 -15.467 1.00 63.41 H new ATOM 0 HG22 THR A 48 18.223 1.217 -14.468 1.00 63.41 H new ATOM 0 HG23 THR A 48 19.153 2.157 -15.659 1.00 63.41 H new ATOM 736 N GLU A 49 17.929 3.378 -11.792 1.00 53.42 N ATOM 737 CA GLU A 49 16.762 2.863 -11.090 1.00 10.42 C ATOM 738 C GLU A 49 16.315 1.603 -11.835 1.00 32.23 C ATOM 739 O GLU A 49 15.898 1.711 -12.991 1.00 54.32 O ATOM 740 CB GLU A 49 15.629 3.888 -11.149 1.00 12.44 C ATOM 741 CG GLU A 49 15.762 5.055 -10.171 1.00 24.13 C ATOM 742 CD GLU A 49 14.787 6.155 -10.584 1.00 34.12 C ATOM 743 OE1 GLU A 49 13.557 5.901 -10.535 1.00 5.43 O ATOM 744 OE2 GLU A 49 15.271 7.229 -11.009 1.00 13.14 O ATOM 0 H GLU A 49 17.827 4.327 -12.153 1.00 53.42 H new ATOM 0 HA GLU A 49 17.002 2.655 -10.047 1.00 10.42 H new ATOM 0 HB2 GLU A 49 15.573 4.287 -12.162 1.00 12.44 H new ATOM 0 HB3 GLU A 49 14.686 3.377 -10.955 1.00 12.44 H new ATOM 0 HG2 GLU A 49 15.548 4.723 -9.155 1.00 24.13 H new ATOM 0 HG3 GLU A 49 16.784 5.435 -10.174 1.00 24.13 H new ATOM 751 N LYS A 50 16.368 0.421 -11.219 1.00 24.41 N ATOM 752 CA LYS A 50 15.772 -0.781 -11.800 1.00 61.33 C ATOM 753 C LYS A 50 14.633 -1.223 -10.908 1.00 34.31 C ATOM 754 O LYS A 50 14.797 -1.327 -9.693 1.00 64.14 O ATOM 755 CB LYS A 50 16.806 -1.893 -12.021 1.00 25.31 C ATOM 756 CG LYS A 50 17.707 -1.561 -13.225 1.00 1.32 C ATOM 757 CD LYS A 50 18.377 -2.802 -13.830 1.00 63.43 C ATOM 758 CE LYS A 50 19.545 -3.276 -12.962 1.00 23.04 C ATOM 759 NZ LYS A 50 20.190 -4.502 -13.474 1.00 3.41 N ATOM 0 H LYS A 50 16.819 0.271 -10.316 1.00 24.41 H new ATOM 0 HA LYS A 50 15.385 -0.552 -12.793 1.00 61.33 H new ATOM 0 HB2 LYS A 50 17.416 -2.014 -11.126 1.00 25.31 H new ATOM 0 HB3 LYS A 50 16.297 -2.842 -12.191 1.00 25.31 H new ATOM 0 HG2 LYS A 50 17.112 -1.065 -13.992 1.00 1.32 H new ATOM 0 HG3 LYS A 50 18.476 -0.855 -12.913 1.00 1.32 H new ATOM 0 HD2 LYS A 50 17.644 -3.603 -13.928 1.00 63.43 H new ATOM 0 HD3 LYS A 50 18.735 -2.573 -14.834 1.00 63.43 H new ATOM 0 HE2 LYS A 50 20.288 -2.481 -12.899 1.00 23.04 H new ATOM 0 HE3 LYS A 50 19.186 -3.458 -11.949 1.00 23.04 H new ATOM 0 HZ1 LYS A 50 20.972 -4.772 -12.844 1.00 3.41 H new ATOM 0 HZ2 LYS A 50 19.492 -5.272 -13.509 1.00 3.41 H new ATOM 0 HZ3 LYS A 50 20.560 -4.326 -14.430 1.00 3.41 H new ATOM 773 N THR A 51 13.470 -1.469 -11.502 1.00 61.22 N ATOM 774 CA THR A 51 12.340 -1.986 -10.761 1.00 54.32 C ATOM 775 C THR A 51 12.364 -3.517 -10.741 1.00 45.41 C ATOM 776 O THR A 51 13.070 -4.140 -11.541 1.00 5.42 O ATOM 777 CB THR A 51 11.029 -1.403 -11.304 1.00 30.02 C ATOM 778 OG1 THR A 51 10.862 -1.615 -12.693 1.00 63.14 O ATOM 779 CG2 THR A 51 10.911 0.096 -11.024 1.00 52.32 C ATOM 0 H THR A 51 13.292 -1.317 -12.495 1.00 61.22 H new ATOM 0 HA THR A 51 12.411 -1.666 -9.721 1.00 54.32 H new ATOM 0 HB THR A 51 10.243 -1.940 -10.774 1.00 30.02 H new ATOM 0 HG1 THR A 51 10.011 -1.225 -12.983 1.00 63.14 H new ATOM 0 HG21 THR A 51 9.968 0.468 -11.425 1.00 52.32 H new ATOM 0 HG22 THR A 51 10.941 0.269 -9.948 1.00 52.32 H new ATOM 0 HG23 THR A 51 11.740 0.621 -11.499 1.00 52.32 H new ATOM 787 N PHE A 52 11.583 -4.121 -9.839 1.00 73.21 N ATOM 788 CA PHE A 52 11.531 -5.567 -9.606 1.00 3.51 C ATOM 789 C PHE A 52 10.097 -6.111 -9.686 1.00 3.52 C ATOM 790 O PHE A 52 9.143 -5.336 -9.587 1.00 73.11 O ATOM 791 CB PHE A 52 12.159 -5.873 -8.232 1.00 25.41 C ATOM 792 CG PHE A 52 13.616 -6.268 -8.336 1.00 44.53 C ATOM 793 CD1 PHE A 52 14.573 -5.314 -8.724 1.00 22.32 C ATOM 794 CD2 PHE A 52 14.013 -7.600 -8.110 1.00 45.41 C ATOM 795 CE1 PHE A 52 15.909 -5.699 -8.902 1.00 30.01 C ATOM 796 CE2 PHE A 52 15.358 -7.975 -8.262 1.00 25.45 C ATOM 797 CZ PHE A 52 16.313 -7.022 -8.647 1.00 54.30 C ATOM 0 H PHE A 52 10.950 -3.600 -9.232 1.00 73.21 H new ATOM 0 HA PHE A 52 12.097 -6.068 -10.391 1.00 3.51 H new ATOM 0 HB2 PHE A 52 12.069 -4.996 -7.591 1.00 25.41 H new ATOM 0 HB3 PHE A 52 11.601 -6.677 -7.752 1.00 25.41 H new ATOM 0 HD1 PHE A 52 14.280 -4.287 -8.885 1.00 22.32 H new ATOM 0 HD2 PHE A 52 13.279 -8.337 -7.818 1.00 45.41 H new ATOM 0 HE1 PHE A 52 16.635 -4.973 -9.238 1.00 30.01 H new ATOM 0 HE2 PHE A 52 15.657 -8.997 -8.082 1.00 25.45 H new ATOM 0 HZ PHE A 52 17.351 -7.302 -8.747 1.00 54.30 H new ATOM 807 N PRO A 53 9.903 -7.438 -9.797 1.00 1.55 N ATOM 808 CA PRO A 53 8.599 -8.078 -9.644 1.00 24.14 C ATOM 809 C PRO A 53 8.104 -7.932 -8.201 1.00 32.24 C ATOM 810 O PRO A 53 8.773 -8.402 -7.277 1.00 4.23 O ATOM 811 CB PRO A 53 8.827 -9.552 -10.009 1.00 45.20 C ATOM 812 CG PRO A 53 10.314 -9.784 -9.749 1.00 14.23 C ATOM 813 CD PRO A 53 10.924 -8.432 -10.101 1.00 43.33 C ATOM 0 HA PRO A 53 7.837 -7.626 -10.279 1.00 24.14 H new ATOM 0 HB2 PRO A 53 8.210 -10.212 -9.400 1.00 45.20 H new ATOM 0 HB3 PRO A 53 8.571 -9.747 -11.050 1.00 45.20 H new ATOM 0 HG2 PRO A 53 10.507 -10.059 -8.712 1.00 14.23 H new ATOM 0 HG3 PRO A 53 10.715 -10.585 -10.371 1.00 14.23 H new ATOM 0 HD2 PRO A 53 11.830 -8.250 -9.522 1.00 43.33 H new ATOM 0 HD3 PRO A 53 11.205 -8.393 -11.153 1.00 43.33 H new ATOM 821 N PHE A 54 6.949 -7.298 -7.964 1.00 10.52 N ATOM 822 CA PHE A 54 6.351 -7.274 -6.629 1.00 25.31 C ATOM 823 C PHE A 54 5.625 -8.601 -6.402 1.00 65.01 C ATOM 824 O PHE A 54 4.636 -8.888 -7.081 1.00 63.13 O ATOM 825 CB PHE A 54 5.425 -6.064 -6.441 1.00 11.11 C ATOM 826 CG PHE A 54 5.337 -5.626 -4.992 1.00 42.20 C ATOM 827 CD1 PHE A 54 4.799 -6.488 -4.015 1.00 74.11 C ATOM 828 CD2 PHE A 54 5.852 -4.372 -4.605 1.00 70.02 C ATOM 829 CE1 PHE A 54 4.777 -6.095 -2.668 1.00 34.43 C ATOM 830 CE2 PHE A 54 5.813 -3.980 -3.258 1.00 5.53 C ATOM 831 CZ PHE A 54 5.266 -4.835 -2.292 1.00 65.34 C ATOM 0 H PHE A 54 6.415 -6.799 -8.676 1.00 10.52 H new ATOM 0 HA PHE A 54 7.134 -7.162 -5.879 1.00 25.31 H new ATOM 0 HB2 PHE A 54 5.788 -5.234 -7.048 1.00 11.11 H new ATOM 0 HB3 PHE A 54 4.428 -6.313 -6.804 1.00 11.11 H new ATOM 0 HD1 PHE A 54 4.404 -7.451 -4.303 1.00 74.11 H new ATOM 0 HD2 PHE A 54 6.277 -3.712 -5.346 1.00 70.02 H new ATOM 0 HE1 PHE A 54 4.382 -6.765 -1.918 1.00 34.43 H new ATOM 0 HE2 PHE A 54 6.205 -3.017 -2.965 1.00 5.53 H new ATOM 0 HZ PHE A 54 5.221 -4.524 -1.259 1.00 65.34 H new ATOM 841 N THR A 55 6.130 -9.430 -5.493 1.00 50.20 N ATOM 842 CA THR A 55 5.612 -10.769 -5.227 1.00 22.21 C ATOM 843 C THR A 55 5.407 -10.961 -3.717 1.00 13.33 C ATOM 844 O THR A 55 5.604 -10.016 -2.941 1.00 4.21 O ATOM 845 CB THR A 55 6.536 -11.800 -5.899 1.00 22.14 C ATOM 846 OG1 THR A 55 7.869 -11.639 -5.460 1.00 5.15 O ATOM 847 CG2 THR A 55 6.514 -11.649 -7.420 1.00 72.42 C ATOM 0 H THR A 55 6.928 -9.184 -4.908 1.00 50.20 H new ATOM 0 HA THR A 55 4.625 -10.916 -5.665 1.00 22.21 H new ATOM 0 HB THR A 55 6.168 -12.788 -5.622 1.00 22.14 H new ATOM 0 HG1 THR A 55 8.186 -12.477 -5.063 1.00 5.15 H new ATOM 0 HG21 THR A 55 7.176 -12.390 -7.869 1.00 72.42 H new ATOM 0 HG22 THR A 55 5.498 -11.800 -7.786 1.00 72.42 H new ATOM 0 HG23 THR A 55 6.852 -10.649 -7.691 1.00 72.42 H new ATOM 855 N LYS A 56 4.940 -12.142 -3.284 1.00 73.30 N ATOM 856 CA LYS A 56 4.513 -12.395 -1.906 1.00 2.32 C ATOM 857 C LYS A 56 5.618 -12.087 -0.900 1.00 63.13 C ATOM 858 O LYS A 56 5.321 -11.687 0.225 1.00 41.52 O ATOM 859 CB LYS A 56 4.078 -13.862 -1.761 1.00 34.34 C ATOM 860 CG LYS A 56 2.760 -14.247 -2.457 1.00 31.21 C ATOM 861 CD LYS A 56 1.572 -13.388 -1.989 1.00 11.54 C ATOM 862 CE LYS A 56 0.265 -14.162 -1.791 1.00 34.42 C ATOM 863 NZ LYS A 56 -0.224 -14.850 -3.002 1.00 74.33 N ATOM 0 H LYS A 56 4.849 -12.956 -3.891 1.00 73.30 H new ATOM 0 HA LYS A 56 3.675 -11.732 -1.692 1.00 2.32 H new ATOM 0 HB2 LYS A 56 4.872 -14.496 -2.154 1.00 34.34 H new ATOM 0 HB3 LYS A 56 3.985 -14.089 -0.699 1.00 34.34 H new ATOM 0 HG2 LYS A 56 2.878 -14.141 -3.535 1.00 31.21 H new ATOM 0 HG3 LYS A 56 2.544 -15.297 -2.262 1.00 31.21 H new ATOM 0 HD2 LYS A 56 1.838 -12.904 -1.049 1.00 11.54 H new ATOM 0 HD3 LYS A 56 1.403 -12.596 -2.719 1.00 11.54 H new ATOM 0 HE2 LYS A 56 0.410 -14.900 -1.002 1.00 34.42 H new ATOM 0 HE3 LYS A 56 -0.504 -13.471 -1.445 1.00 34.42 H new ATOM 0 HZ1 LYS A 56 -1.110 -15.349 -2.784 1.00 74.33 H new ATOM 0 HZ2 LYS A 56 -0.396 -14.151 -3.753 1.00 74.33 H new ATOM 0 HZ3 LYS A 56 0.489 -15.535 -3.324 1.00 74.33 H new ATOM 877 N GLU A 57 6.873 -12.227 -1.317 1.00 62.23 N ATOM 878 CA GLU A 57 8.056 -12.015 -0.506 1.00 14.42 C ATOM 879 C GLU A 57 8.246 -10.579 -0.047 1.00 45.53 C ATOM 880 O GLU A 57 8.979 -10.356 0.916 1.00 41.10 O ATOM 881 CB GLU A 57 9.292 -12.340 -1.332 1.00 62.23 C ATOM 882 CG GLU A 57 9.357 -13.807 -1.767 1.00 11.44 C ATOM 883 CD GLU A 57 8.932 -14.037 -3.215 1.00 10.34 C ATOM 884 OE1 GLU A 57 7.949 -13.413 -3.668 1.00 12.41 O ATOM 885 OE2 GLU A 57 9.604 -14.836 -3.912 1.00 11.21 O ATOM 0 H GLU A 57 7.097 -12.504 -2.273 1.00 62.23 H new ATOM 0 HA GLU A 57 7.924 -12.654 0.367 1.00 14.42 H new ATOM 0 HB2 GLU A 57 9.307 -11.704 -2.217 1.00 62.23 H new ATOM 0 HB3 GLU A 57 10.183 -12.100 -0.751 1.00 62.23 H new ATOM 0 HG2 GLU A 57 10.376 -14.171 -1.634 1.00 11.44 H new ATOM 0 HG3 GLU A 57 8.719 -14.400 -1.112 1.00 11.44 H new ATOM 892 N LYS A 58 7.683 -9.595 -0.750 1.00 11.54 N ATOM 893 CA LYS A 58 8.005 -8.188 -0.508 1.00 50.52 C ATOM 894 C LYS A 58 6.796 -7.410 -0.011 1.00 2.42 C ATOM 895 O LYS A 58 6.796 -6.194 -0.084 1.00 52.52 O ATOM 896 CB LYS A 58 8.632 -7.526 -1.737 1.00 31.01 C ATOM 897 CG LYS A 58 9.810 -8.288 -2.367 1.00 41.50 C ATOM 898 CD LYS A 58 9.393 -8.924 -3.696 1.00 52.43 C ATOM 899 CE LYS A 58 10.595 -9.595 -4.363 1.00 2.51 C ATOM 900 NZ LYS A 58 10.237 -10.104 -5.700 1.00 53.24 N ATOM 0 H LYS A 58 7.001 -9.747 -1.493 1.00 11.54 H new ATOM 0 HA LYS A 58 8.753 -8.167 0.285 1.00 50.52 H new ATOM 0 HB2 LYS A 58 7.858 -7.397 -2.494 1.00 31.01 H new ATOM 0 HB3 LYS A 58 8.974 -6.529 -1.457 1.00 31.01 H new ATOM 0 HG2 LYS A 58 10.645 -7.607 -2.530 1.00 41.50 H new ATOM 0 HG3 LYS A 58 10.158 -9.061 -1.682 1.00 41.50 H new ATOM 0 HD2 LYS A 58 8.606 -9.659 -3.524 1.00 52.43 H new ATOM 0 HD3 LYS A 58 8.979 -8.163 -4.357 1.00 52.43 H new ATOM 0 HE2 LYS A 58 11.414 -8.881 -4.448 1.00 2.51 H new ATOM 0 HE3 LYS A 58 10.951 -10.416 -3.740 1.00 2.51 H new ATOM 0 HZ1 LYS A 58 11.047 -10.614 -6.106 1.00 53.24 H new ATOM 0 HZ2 LYS A 58 9.426 -10.750 -5.620 1.00 53.24 H new ATOM 0 HZ3 LYS A 58 9.985 -9.307 -6.319 1.00 53.24 H new ATOM 914 N TRP A 59 5.752 -8.105 0.429 1.00 14.21 N ATOM 915 CA TRP A 59 4.541 -7.511 0.985 1.00 12.32 C ATOM 916 C TRP A 59 4.665 -7.268 2.502 1.00 2.03 C ATOM 917 O TRP A 59 4.397 -8.219 3.249 1.00 74.10 O ATOM 918 CB TRP A 59 3.288 -8.311 0.614 1.00 10.32 C ATOM 919 CG TRP A 59 2.029 -7.545 0.891 1.00 51.20 C ATOM 920 CD1 TRP A 59 1.447 -7.404 2.104 1.00 13.32 C ATOM 921 CD2 TRP A 59 1.286 -6.659 -0.003 1.00 44.12 C ATOM 922 NE1 TRP A 59 0.415 -6.499 2.028 1.00 42.24 N ATOM 923 CE2 TRP A 59 0.278 -5.997 0.756 1.00 72.50 C ATOM 924 CE3 TRP A 59 1.393 -6.300 -1.366 1.00 61.31 C ATOM 925 CZ2 TRP A 59 -0.595 -5.065 0.188 1.00 33.23 C ATOM 926 CZ3 TRP A 59 0.534 -5.343 -1.941 1.00 45.41 C ATOM 927 CH2 TRP A 59 -0.461 -4.731 -1.165 1.00 54.11 C ATOM 0 H TRP A 59 5.724 -9.124 0.408 1.00 14.21 H new ATOM 0 HA TRP A 59 4.423 -6.529 0.526 1.00 12.32 H new ATOM 0 HB2 TRP A 59 3.326 -8.575 -0.443 1.00 10.32 H new ATOM 0 HB3 TRP A 59 3.275 -9.245 1.176 1.00 10.32 H new ATOM 0 HD1 TRP A 59 1.749 -7.926 3.000 1.00 13.32 H new ATOM 0 HE1 TRP A 59 -0.175 -6.233 2.817 1.00 42.24 H new ATOM 0 HE3 TRP A 59 2.149 -6.769 -1.979 1.00 61.31 H new ATOM 0 HZ2 TRP A 59 -1.367 -4.606 0.788 1.00 33.23 H new ATOM 0 HZ3 TRP A 59 0.642 -5.080 -2.983 1.00 45.41 H new ATOM 0 HH2 TRP A 59 -1.123 -4.003 -1.610 1.00 54.11 H new ATOM 938 N PRO A 60 5.179 -6.115 2.992 1.00 32.42 N ATOM 939 CA PRO A 60 5.051 -5.785 4.406 1.00 3.32 C ATOM 940 C PRO A 60 3.574 -5.806 4.808 1.00 24.25 C ATOM 941 O PRO A 60 2.706 -5.413 4.036 1.00 72.43 O ATOM 942 CB PRO A 60 5.651 -4.387 4.591 1.00 1.42 C ATOM 943 CG PRO A 60 5.491 -3.737 3.229 1.00 14.43 C ATOM 944 CD PRO A 60 5.535 -4.909 2.253 1.00 44.10 C ATOM 0 HA PRO A 60 5.572 -6.506 5.036 1.00 3.32 H new ATOM 0 HB2 PRO A 60 5.127 -3.827 5.365 1.00 1.42 H new ATOM 0 HB3 PRO A 60 6.698 -4.438 4.889 1.00 1.42 H new ATOM 0 HG2 PRO A 60 4.550 -3.191 3.155 1.00 14.43 H new ATOM 0 HG3 PRO A 60 6.290 -3.023 3.031 1.00 14.43 H new ATOM 0 HD2 PRO A 60 4.841 -4.747 1.429 1.00 44.10 H new ATOM 0 HD3 PRO A 60 6.529 -5.007 1.817 1.00 44.10 H new ATOM 952 N LEU A 61 3.303 -6.297 6.009 1.00 64.24 N ATOM 953 CA LEU A 61 2.040 -6.152 6.700 1.00 43.30 C ATOM 954 C LEU A 61 1.949 -4.728 7.210 1.00 53.14 C ATOM 955 O LEU A 61 2.832 -4.265 7.936 1.00 65.12 O ATOM 956 CB LEU A 61 1.958 -7.133 7.877 1.00 62.32 C ATOM 957 CG LEU A 61 1.623 -8.554 7.408 1.00 63.52 C ATOM 958 CD1 LEU A 61 1.758 -9.562 8.540 1.00 44.20 C ATOM 959 CD2 LEU A 61 0.203 -8.636 6.866 1.00 25.45 C ATOM 0 H LEU A 61 3.988 -6.828 6.546 1.00 64.24 H new ATOM 0 HA LEU A 61 1.216 -6.369 6.021 1.00 43.30 H new ATOM 0 HB2 LEU A 61 2.908 -7.141 8.411 1.00 62.32 H new ATOM 0 HB3 LEU A 61 1.199 -6.794 8.581 1.00 62.32 H new ATOM 0 HG LEU A 61 2.335 -8.794 6.618 1.00 63.52 H new ATOM 0 HD11 LEU A 61 1.513 -10.558 8.171 1.00 44.20 H new ATOM 0 HD12 LEU A 61 2.782 -9.555 8.913 1.00 44.20 H new ATOM 0 HD13 LEU A 61 1.076 -9.296 9.347 1.00 44.20 H new ATOM 0 HD21 LEU A 61 -0.004 -9.656 6.542 1.00 25.45 H new ATOM 0 HD22 LEU A 61 -0.502 -8.354 7.648 1.00 25.45 H new ATOM 0 HD23 LEU A 61 0.097 -7.957 6.020 1.00 25.45 H new ATOM 971 N LEU A 62 0.876 -4.056 6.804 1.00 5.15 N ATOM 972 CA LEU A 62 0.508 -2.715 7.226 1.00 13.25 C ATOM 973 C LEU A 62 -0.683 -2.858 8.164 1.00 42.42 C ATOM 974 O LEU A 62 -1.665 -3.515 7.798 1.00 50.04 O ATOM 975 CB LEU A 62 0.127 -1.860 6.000 1.00 10.22 C ATOM 976 CG LEU A 62 1.309 -1.154 5.309 1.00 42.12 C ATOM 977 CD1 LEU A 62 1.785 0.035 6.142 1.00 22.33 C ATOM 978 CD2 LEU A 62 2.492 -2.076 5.008 1.00 63.40 C ATOM 0 H LEU A 62 0.210 -4.453 6.141 1.00 5.15 H new ATOM 0 HA LEU A 62 1.339 -2.220 7.728 1.00 13.25 H new ATOM 0 HB2 LEU A 62 -0.372 -2.498 5.271 1.00 10.22 H new ATOM 0 HB3 LEU A 62 -0.596 -1.106 6.312 1.00 10.22 H new ATOM 0 HG LEU A 62 0.926 -0.813 4.347 1.00 42.12 H new ATOM 0 HD11 LEU A 62 2.620 0.521 5.638 1.00 22.33 H new ATOM 0 HD12 LEU A 62 0.968 0.747 6.260 1.00 22.33 H new ATOM 0 HD13 LEU A 62 2.107 -0.314 7.123 1.00 22.33 H new ATOM 0 HD21 LEU A 62 3.283 -1.506 4.522 1.00 63.40 H new ATOM 0 HD22 LEU A 62 2.869 -2.500 5.939 1.00 63.40 H new ATOM 0 HD23 LEU A 62 2.167 -2.881 4.349 1.00 63.40 H new ATOM 990 N ASP A 63 -0.600 -2.250 9.349 1.00 50.40 N ATOM 991 CA ASP A 63 -1.771 -2.048 10.203 1.00 2.13 C ATOM 992 C ASP A 63 -2.436 -0.719 9.845 1.00 43.33 C ATOM 993 O ASP A 63 -2.061 -0.003 8.913 1.00 52.04 O ATOM 994 CB ASP A 63 -1.413 -2.081 11.699 1.00 21.23 C ATOM 995 CG ASP A 63 -2.488 -2.722 12.579 1.00 62.24 C ATOM 996 OD1 ASP A 63 -3.693 -2.411 12.450 1.00 23.22 O ATOM 997 OD2 ASP A 63 -2.122 -3.540 13.448 1.00 44.12 O ATOM 0 H ASP A 63 0.270 -1.888 9.740 1.00 50.40 H new ATOM 0 HA ASP A 63 -2.464 -2.870 10.024 1.00 2.13 H new ATOM 0 HB2 ASP A 63 -0.479 -2.628 11.827 1.00 21.23 H new ATOM 0 HB3 ASP A 63 -1.236 -1.062 12.043 1.00 21.23 H new ATOM 1002 N SER A 64 -3.441 -0.372 10.627 1.00 5.21 N ATOM 1003 CA SER A 64 -4.214 0.850 10.483 1.00 61.33 C ATOM 1004 C SER A 64 -3.483 2.070 11.036 1.00 62.51 C ATOM 1005 O SER A 64 -3.860 3.195 10.718 1.00 70.11 O ATOM 1006 CB SER A 64 -5.559 0.684 11.181 1.00 73.50 C ATOM 1007 OG SER A 64 -6.639 0.783 10.264 1.00 42.32 O ATOM 0 H SER A 64 -3.753 -0.952 11.406 1.00 5.21 H new ATOM 0 HA SER A 64 -4.363 1.024 9.417 1.00 61.33 H new ATOM 0 HB2 SER A 64 -5.593 -0.284 11.681 1.00 73.50 H new ATOM 0 HB3 SER A 64 -5.665 1.446 11.953 1.00 73.50 H new ATOM 0 HG SER A 64 -6.847 -0.105 9.906 1.00 42.32 H new ATOM 1013 N GLU A 65 -2.440 1.877 11.841 1.00 65.13 N ATOM 1014 CA GLU A 65 -1.565 2.937 12.327 1.00 52.24 C ATOM 1015 C GLU A 65 -1.028 3.793 11.170 1.00 11.24 C ATOM 1016 O GLU A 65 -0.989 5.017 11.302 1.00 3.13 O ATOM 1017 CB GLU A 65 -0.461 2.340 13.217 1.00 52.23 C ATOM 1018 CG GLU A 65 0.365 1.223 12.552 1.00 1.15 C ATOM 1019 CD GLU A 65 1.777 1.670 12.153 1.00 74.53 C ATOM 1020 OE1 GLU A 65 1.888 2.611 11.337 1.00 34.41 O ATOM 1021 OE2 GLU A 65 2.756 1.019 12.589 1.00 34.45 O ATOM 0 H GLU A 65 -2.175 0.953 12.181 1.00 65.13 H new ATOM 0 HA GLU A 65 -2.139 3.622 12.951 1.00 52.24 H new ATOM 0 HB2 GLU A 65 0.214 3.140 13.522 1.00 52.23 H new ATOM 0 HB3 GLU A 65 -0.918 1.945 14.124 1.00 52.23 H new ATOM 0 HG2 GLU A 65 0.439 0.378 13.237 1.00 1.15 H new ATOM 0 HG3 GLU A 65 -0.161 0.870 11.665 1.00 1.15 H new ATOM 1028 N THR A 66 -0.748 3.182 10.015 1.00 12.14 N ATOM 1029 CA THR A 66 -0.254 3.861 8.825 1.00 34.15 C ATOM 1030 C THR A 66 -1.375 4.217 7.836 1.00 62.53 C ATOM 1031 O THR A 66 -1.120 4.639 6.706 1.00 33.24 O ATOM 1032 CB THR A 66 0.751 2.953 8.112 1.00 65.50 C ATOM 1033 OG1 THR A 66 1.370 1.964 8.913 1.00 12.04 O ATOM 1034 CG2 THR A 66 1.850 3.777 7.452 1.00 11.25 C ATOM 0 H THR A 66 -0.863 2.177 9.884 1.00 12.14 H new ATOM 0 HA THR A 66 0.209 4.791 9.154 1.00 34.15 H new ATOM 0 HB THR A 66 0.139 2.423 7.382 1.00 65.50 H new ATOM 0 HG1 THR A 66 1.805 2.390 9.681 1.00 12.04 H new ATOM 0 HG21 THR A 66 2.553 3.111 6.951 1.00 11.25 H new ATOM 0 HG22 THR A 66 1.408 4.454 6.721 1.00 11.25 H new ATOM 0 HG23 THR A 66 2.376 4.356 8.211 1.00 11.25 H new ATOM 1042 N MET A 67 -2.629 3.979 8.200 1.00 72.53 N ATOM 1043 CA MET A 67 -3.813 4.261 7.385 1.00 50.43 C ATOM 1044 C MET A 67 -4.746 5.197 8.153 1.00 61.44 C ATOM 1045 O MET A 67 -5.916 4.874 8.400 1.00 50.14 O ATOM 1046 CB MET A 67 -4.493 2.968 6.912 1.00 61.22 C ATOM 1047 CG MET A 67 -3.506 2.046 6.182 1.00 54.22 C ATOM 1048 SD MET A 67 -4.245 0.982 4.911 1.00 50.30 S ATOM 1049 CE MET A 67 -4.265 2.161 3.534 1.00 32.34 C ATOM 0 H MET A 67 -2.862 3.569 9.104 1.00 72.53 H new ATOM 0 HA MET A 67 -3.515 4.775 6.471 1.00 50.43 H new ATOM 0 HB2 MET A 67 -4.916 2.444 7.769 1.00 61.22 H new ATOM 0 HB3 MET A 67 -5.322 3.214 6.248 1.00 61.22 H new ATOM 0 HG2 MET A 67 -2.735 2.660 5.717 1.00 54.22 H new ATOM 0 HG3 MET A 67 -3.009 1.415 6.919 1.00 54.22 H new ATOM 0 HE1 MET A 67 -4.691 1.683 2.652 1.00 32.34 H new ATOM 0 HE2 MET A 67 -4.869 3.027 3.805 1.00 32.34 H new ATOM 0 HE3 MET A 67 -3.247 2.483 3.316 1.00 32.34 H new ATOM 1059 N LYS A 68 -4.201 6.346 8.564 1.00 51.42 N ATOM 1060 CA LYS A 68 -4.873 7.343 9.392 1.00 32.44 C ATOM 1061 C LYS A 68 -4.730 8.718 8.765 1.00 24.14 C ATOM 1062 O LYS A 68 -3.627 9.278 8.674 1.00 62.54 O ATOM 1063 CB LYS A 68 -4.337 7.270 10.828 1.00 23.21 C ATOM 1064 CG LYS A 68 -5.151 6.215 11.584 1.00 21.23 C ATOM 1065 CD LYS A 68 -4.393 5.632 12.774 1.00 4.35 C ATOM 1066 CE LYS A 68 -5.123 4.435 13.391 1.00 25.53 C ATOM 1067 NZ LYS A 68 -6.502 4.744 13.808 1.00 24.14 N ATOM 0 H LYS A 68 -3.248 6.613 8.319 1.00 51.42 H new ATOM 0 HA LYS A 68 -5.942 7.136 9.445 1.00 32.44 H new ATOM 0 HB2 LYS A 68 -3.279 7.007 10.827 1.00 23.21 H new ATOM 0 HB3 LYS A 68 -4.423 8.240 11.317 1.00 23.21 H new ATOM 0 HG2 LYS A 68 -6.082 6.661 11.934 1.00 21.23 H new ATOM 0 HG3 LYS A 68 -5.421 5.410 10.900 1.00 21.23 H new ATOM 0 HD2 LYS A 68 -3.398 5.323 12.454 1.00 4.35 H new ATOM 0 HD3 LYS A 68 -4.259 6.404 13.532 1.00 4.35 H new ATOM 0 HE2 LYS A 68 -5.144 3.619 12.668 1.00 25.53 H new ATOM 0 HE3 LYS A 68 -4.560 4.081 14.255 1.00 25.53 H new ATOM 0 HZ1 LYS A 68 -6.923 3.909 14.263 1.00 24.14 H new ATOM 0 HZ2 LYS A 68 -6.492 5.536 14.481 1.00 24.14 H new ATOM 0 HZ3 LYS A 68 -7.066 5.005 12.974 1.00 24.14 H new ATOM 1081 N GLU A 69 -5.862 9.230 8.299 1.00 21.41 N ATOM 1082 CA GLU A 69 -6.007 10.510 7.647 1.00 51.03 C ATOM 1083 C GLU A 69 -5.734 11.608 8.673 1.00 75.14 C ATOM 1084 O GLU A 69 -6.513 11.814 9.607 1.00 20.32 O ATOM 1085 CB GLU A 69 -7.401 10.636 7.013 1.00 52.40 C ATOM 1086 CG GLU A 69 -7.648 9.573 5.928 1.00 71.51 C ATOM 1087 CD GLU A 69 -8.201 8.225 6.423 1.00 31.25 C ATOM 1088 OE1 GLU A 69 -8.266 7.946 7.640 1.00 11.43 O ATOM 1089 OE2 GLU A 69 -8.591 7.403 5.560 1.00 11.13 O ATOM 0 H GLU A 69 -6.748 8.730 8.374 1.00 21.41 H new ATOM 0 HA GLU A 69 -5.288 10.608 6.834 1.00 51.03 H new ATOM 0 HB2 GLU A 69 -8.160 10.543 7.789 1.00 52.40 H new ATOM 0 HB3 GLU A 69 -7.511 11.629 6.577 1.00 52.40 H new ATOM 0 HG2 GLU A 69 -8.344 9.983 5.196 1.00 71.51 H new ATOM 0 HG3 GLU A 69 -6.709 9.389 5.406 1.00 71.51 H new ATOM 1096 N GLU A 70 -4.614 12.306 8.518 1.00 75.11 N ATOM 1097 CA GLU A 70 -4.195 13.407 9.382 1.00 4.42 C ATOM 1098 C GLU A 70 -3.241 14.280 8.566 1.00 15.22 C ATOM 1099 O GLU A 70 -2.581 13.776 7.651 1.00 53.12 O ATOM 1100 CB GLU A 70 -3.471 12.849 10.624 1.00 22.45 C ATOM 1101 CG GLU A 70 -3.466 13.759 11.865 1.00 15.05 C ATOM 1102 CD GLU A 70 -4.783 13.714 12.655 1.00 75.41 C ATOM 1103 OE1 GLU A 70 -5.152 12.627 13.164 1.00 52.24 O ATOM 1104 OE2 GLU A 70 -5.453 14.770 12.754 1.00 73.51 O ATOM 0 H GLU A 70 -3.952 12.117 7.766 1.00 75.11 H new ATOM 0 HA GLU A 70 -5.053 13.986 9.722 1.00 4.42 H new ATOM 0 HB2 GLU A 70 -3.934 11.900 10.895 1.00 22.45 H new ATOM 0 HB3 GLU A 70 -2.438 12.633 10.352 1.00 22.45 H new ATOM 0 HG2 GLU A 70 -2.647 13.464 12.520 1.00 15.05 H new ATOM 0 HG3 GLU A 70 -3.272 14.785 11.554 1.00 15.05 H new ATOM 1111 N ARG A 71 -3.125 15.557 8.922 1.00 42.21 N ATOM 1112 CA ARG A 71 -2.272 16.549 8.269 1.00 14.43 C ATOM 1113 C ARG A 71 -1.365 17.161 9.335 1.00 24.53 C ATOM 1114 O ARG A 71 -1.656 18.227 9.876 1.00 1.12 O ATOM 1115 CB ARG A 71 -3.151 17.592 7.542 1.00 44.03 C ATOM 1116 CG ARG A 71 -2.340 18.440 6.557 1.00 42.04 C ATOM 1117 CD ARG A 71 -2.295 19.896 7.003 1.00 54.32 C ATOM 1118 NE ARG A 71 -3.408 20.695 6.471 1.00 53.44 N ATOM 1119 CZ ARG A 71 -3.416 22.019 6.270 1.00 35.45 C ATOM 1120 NH1 ARG A 71 -2.430 22.818 6.670 1.00 72.12 N ATOM 1121 NH2 ARG A 71 -4.456 22.550 5.655 1.00 33.51 N ATOM 0 H ARG A 71 -3.646 15.947 9.708 1.00 42.21 H new ATOM 0 HA ARG A 71 -1.639 16.099 7.505 1.00 14.43 H new ATOM 0 HB2 ARG A 71 -3.952 17.081 7.007 1.00 44.03 H new ATOM 0 HB3 ARG A 71 -3.624 18.243 8.277 1.00 44.03 H new ATOM 0 HG2 ARG A 71 -1.326 18.047 6.481 1.00 42.04 H new ATOM 0 HG3 ARG A 71 -2.783 18.373 5.563 1.00 42.04 H new ATOM 0 HD2 ARG A 71 -2.314 19.937 8.092 1.00 54.32 H new ATOM 0 HD3 ARG A 71 -1.352 20.339 6.683 1.00 54.32 H new ATOM 0 HE ARG A 71 -4.261 20.190 6.230 1.00 53.44 H new ATOM 0 HH11 ARG A 71 -1.621 22.427 7.154 1.00 72.12 H new ATOM 0 HH12 ARG A 71 -2.483 23.821 6.493 1.00 72.12 H new ATOM 0 HH21 ARG A 71 -5.225 21.955 5.347 1.00 33.51 H new ATOM 0 HH22 ARG A 71 -4.491 23.556 5.488 1.00 33.51 H new ATOM 1135 N ILE A 72 -0.301 16.451 9.694 1.00 52.12 N ATOM 1136 CA ILE A 72 0.648 16.800 10.736 1.00 23.51 C ATOM 1137 C ILE A 72 1.503 17.961 10.232 1.00 51.23 C ATOM 1138 O ILE A 72 2.376 17.790 9.381 1.00 52.31 O ATOM 1139 CB ILE A 72 1.507 15.580 11.151 1.00 73.22 C ATOM 1140 CG1 ILE A 72 0.658 14.315 11.440 1.00 53.02 C ATOM 1141 CG2 ILE A 72 2.276 15.943 12.433 1.00 55.44 C ATOM 1142 CD1 ILE A 72 0.445 13.417 10.213 1.00 33.15 C ATOM 0 H ILE A 72 -0.068 15.569 9.238 1.00 52.12 H new ATOM 0 HA ILE A 72 0.116 17.109 11.636 1.00 23.51 H new ATOM 0 HB ILE A 72 2.173 15.350 10.319 1.00 73.22 H new ATOM 0 HG12 ILE A 72 1.144 13.734 12.224 1.00 53.02 H new ATOM 0 HG13 ILE A 72 -0.314 14.622 11.827 1.00 53.02 H new ATOM 0 HG21 ILE A 72 2.888 15.096 12.742 1.00 55.44 H new ATOM 0 HG22 ILE A 72 2.917 16.803 12.241 1.00 55.44 H new ATOM 0 HG23 ILE A 72 1.568 16.188 13.225 1.00 55.44 H new ATOM 0 HD11 ILE A 72 -0.157 12.553 10.494 1.00 33.15 H new ATOM 0 HD12 ILE A 72 -0.070 13.980 9.435 1.00 33.15 H new ATOM 0 HD13 ILE A 72 1.411 13.079 9.838 1.00 33.15 H new ATOM 1154 N THR A 73 1.250 19.166 10.735 1.00 32.13 N ATOM 1155 CA THR A 73 2.131 20.290 10.490 1.00 31.21 C ATOM 1156 C THR A 73 3.380 20.061 11.353 1.00 12.35 C ATOM 1157 O THR A 73 3.293 19.943 12.581 1.00 63.52 O ATOM 1158 CB THR A 73 1.353 21.601 10.708 1.00 12.42 C ATOM 1159 OG1 THR A 73 1.936 22.648 9.958 1.00 0.14 O ATOM 1160 CG2 THR A 73 1.152 22.062 12.152 1.00 44.40 C ATOM 0 H THR A 73 0.439 19.383 11.315 1.00 32.13 H new ATOM 0 HA THR A 73 2.484 20.377 9.462 1.00 31.21 H new ATOM 0 HB THR A 73 0.349 21.357 10.360 1.00 12.42 H new ATOM 0 HG1 THR A 73 1.431 23.475 10.104 1.00 0.14 H new ATOM 0 HG21 THR A 73 0.590 22.996 12.161 1.00 44.40 H new ATOM 0 HG22 THR A 73 0.600 21.301 12.703 1.00 44.40 H new ATOM 0 HG23 THR A 73 2.123 22.218 12.623 1.00 44.40 H new ATOM 1168 N GLN A 74 4.535 19.917 10.708 1.00 2.42 N ATOM 1169 CA GLN A 74 5.834 19.867 11.356 1.00 20.55 C ATOM 1170 C GLN A 74 6.588 21.141 10.983 1.00 11.15 C ATOM 1171 O GLN A 74 5.979 22.123 10.539 1.00 72.13 O ATOM 1172 CB GLN A 74 6.582 18.576 10.989 1.00 61.13 C ATOM 1173 CG GLN A 74 5.699 17.318 10.987 1.00 44.24 C ATOM 1174 CD GLN A 74 6.518 16.064 10.683 1.00 24.35 C ATOM 1175 OE1 GLN A 74 7.698 16.148 10.351 1.00 20.55 O ATOM 1176 NE2 GLN A 74 5.927 14.886 10.735 1.00 34.42 N ATOM 0 H GLN A 74 4.590 19.830 9.693 1.00 2.42 H new ATOM 0 HA GLN A 74 5.733 19.833 12.441 1.00 20.55 H new ATOM 0 HB2 GLN A 74 7.028 18.695 10.002 1.00 61.13 H new ATOM 0 HB3 GLN A 74 7.401 18.431 11.693 1.00 61.13 H new ATOM 0 HG2 GLN A 74 5.213 17.211 11.957 1.00 44.24 H new ATOM 0 HG3 GLN A 74 4.909 17.427 10.245 1.00 44.24 H new ATOM 0 HE21 GLN A 74 4.947 14.819 11.011 1.00 34.42 H new ATOM 0 HE22 GLN A 74 6.450 14.042 10.499 1.00 34.42 H new ATOM 1185 N GLU A 75 7.895 21.173 11.228 1.00 15.32 N ATOM 1186 CA GLU A 75 8.718 22.319 10.863 1.00 74.41 C ATOM 1187 C GLU A 75 10.102 21.872 10.403 1.00 60.21 C ATOM 1188 O GLU A 75 10.655 22.372 9.433 1.00 24.21 O ATOM 1189 CB GLU A 75 8.619 23.351 11.968 1.00 61.21 C ATOM 1190 CG GLU A 75 9.773 23.236 12.908 1.00 4.03 C ATOM 1191 CD GLU A 75 9.621 24.231 14.064 1.00 72.54 C ATOM 1192 OE1 GLU A 75 8.965 23.874 15.072 1.00 42.04 O ATOM 1193 OE2 GLU A 75 10.130 25.372 13.921 1.00 60.33 O ATOM 0 H GLU A 75 8.407 20.415 11.679 1.00 15.32 H new ATOM 0 HA GLU A 75 8.356 22.840 9.977 1.00 74.41 H new ATOM 0 HB2 GLU A 75 8.595 24.351 11.536 1.00 61.21 H new ATOM 0 HB3 GLU A 75 7.685 23.217 12.514 1.00 61.21 H new ATOM 0 HG2 GLU A 75 9.832 22.220 13.299 1.00 4.03 H new ATOM 0 HG3 GLU A 75 10.705 23.427 12.375 1.00 4.03 H new ATOM 1200 N GLU A 76 10.612 20.827 11.032 1.00 3.45 N ATOM 1201 CA GLU A 76 11.890 20.207 10.682 1.00 54.02 C ATOM 1202 C GLU A 76 11.805 19.289 9.448 1.00 31.43 C ATOM 1203 O GLU A 76 12.769 18.582 9.143 1.00 35.25 O ATOM 1204 CB GLU A 76 12.505 19.489 11.890 1.00 24.44 C ATOM 1205 CG GLU A 76 12.891 20.475 12.999 1.00 71.13 C ATOM 1206 CD GLU A 76 13.972 19.886 13.904 1.00 60.10 C ATOM 1207 OE1 GLU A 76 13.654 18.984 14.719 1.00 44.41 O ATOM 1208 OE2 GLU A 76 15.130 20.355 13.828 1.00 20.11 O ATOM 0 H GLU A 76 10.144 20.373 11.816 1.00 3.45 H new ATOM 0 HA GLU A 76 12.559 21.019 10.396 1.00 54.02 H new ATOM 0 HB2 GLU A 76 11.794 18.761 12.281 1.00 24.44 H new ATOM 0 HB3 GLU A 76 13.388 18.934 11.573 1.00 24.44 H new ATOM 0 HG2 GLU A 76 13.249 21.404 12.556 1.00 71.13 H new ATOM 0 HG3 GLU A 76 12.011 20.723 13.592 1.00 71.13 H new ATOM 1215 N GLY A 77 10.689 19.275 8.709 1.00 1.24 N ATOM 1216 CA GLY A 77 10.572 18.436 7.518 1.00 0.25 C ATOM 1217 C GLY A 77 9.495 18.865 6.529 1.00 12.42 C ATOM 1218 O GLY A 77 9.680 18.649 5.332 1.00 64.21 O ATOM 0 H GLY A 77 9.861 19.833 8.916 1.00 1.24 H new ATOM 0 HA2 GLY A 77 11.533 18.426 7.004 1.00 0.25 H new ATOM 0 HA3 GLY A 77 10.368 17.412 7.832 1.00 0.25 H new ATOM 1222 N GLY A 78 8.397 19.474 6.989 1.00 40.13 N ATOM 1223 CA GLY A 78 7.289 19.834 6.116 1.00 53.23 C ATOM 1224 C GLY A 78 5.943 19.591 6.780 1.00 44.00 C ATOM 1225 O GLY A 78 5.856 19.369 7.991 1.00 52.13 O ATOM 0 H GLY A 78 8.257 19.727 7.967 1.00 40.13 H new ATOM 0 HA2 GLY A 78 7.372 20.885 5.838 1.00 53.23 H new ATOM 0 HA3 GLY A 78 7.349 19.255 5.195 1.00 53.23 H new ATOM 1229 N ILE A 79 4.885 19.590 5.977 1.00 63.13 N ATOM 1230 CA ILE A 79 3.572 19.126 6.377 1.00 14.04 C ATOM 1231 C ILE A 79 3.461 17.661 6.006 1.00 40.12 C ATOM 1232 O ILE A 79 3.281 17.364 4.834 1.00 22.11 O ATOM 1233 CB ILE A 79 2.477 19.992 5.716 1.00 11.44 C ATOM 1234 CG1 ILE A 79 2.594 21.479 6.119 1.00 13.45 C ATOM 1235 CG2 ILE A 79 1.074 19.458 6.047 1.00 51.30 C ATOM 1236 CD1 ILE A 79 1.658 22.386 5.308 1.00 12.03 C ATOM 0 H ILE A 79 4.922 19.919 5.012 1.00 63.13 H new ATOM 0 HA ILE A 79 3.431 19.223 7.453 1.00 14.04 H new ATOM 0 HB ILE A 79 2.630 19.927 4.639 1.00 11.44 H new ATOM 0 HG12 ILE A 79 2.366 21.583 7.180 1.00 13.45 H new ATOM 0 HG13 ILE A 79 3.624 21.809 5.981 1.00 13.45 H new ATOM 0 HG21 ILE A 79 0.323 20.087 5.569 1.00 51.30 H new ATOM 0 HG22 ILE A 79 0.978 18.436 5.681 1.00 51.30 H new ATOM 0 HG23 ILE A 79 0.925 19.472 7.127 1.00 51.30 H new ATOM 0 HD11 ILE A 79 1.782 23.419 5.632 1.00 12.03 H new ATOM 0 HD12 ILE A 79 1.902 22.307 4.249 1.00 12.03 H new ATOM 0 HD13 ILE A 79 0.625 22.077 5.466 1.00 12.03 H new ATOM 1248 N TYR A 80 3.597 16.756 6.970 1.00 75.41 N ATOM 1249 CA TYR A 80 3.384 15.340 6.719 1.00 41.12 C ATOM 1250 C TYR A 80 1.880 15.101 6.664 1.00 21.13 C ATOM 1251 O TYR A 80 1.157 15.506 7.578 1.00 40.22 O ATOM 1252 CB TYR A 80 4.017 14.493 7.821 1.00 0.24 C ATOM 1253 CG TYR A 80 4.344 13.100 7.330 1.00 0.33 C ATOM 1254 CD1 TYR A 80 5.512 12.882 6.575 1.00 24.21 C ATOM 1255 CD2 TYR A 80 3.464 12.032 7.588 1.00 0.43 C ATOM 1256 CE1 TYR A 80 5.844 11.584 6.153 1.00 11.32 C ATOM 1257 CE2 TYR A 80 3.770 10.740 7.133 1.00 35.55 C ATOM 1258 CZ TYR A 80 4.978 10.507 6.443 1.00 51.44 C ATOM 1259 OH TYR A 80 5.317 9.241 6.089 1.00 21.42 O ATOM 0 H TYR A 80 3.854 16.981 7.931 1.00 75.41 H new ATOM 0 HA TYR A 80 3.851 15.052 5.777 1.00 41.12 H new ATOM 0 HB2 TYR A 80 4.926 14.977 8.177 1.00 0.24 H new ATOM 0 HB3 TYR A 80 3.336 14.430 8.670 1.00 0.24 H new ATOM 0 HD1 TYR A 80 6.153 13.713 6.320 1.00 24.21 H new ATOM 0 HD2 TYR A 80 2.551 12.207 8.138 1.00 0.43 H new ATOM 0 HE1 TYR A 80 6.760 11.410 5.608 1.00 11.32 H new ATOM 0 HE2 TYR A 80 3.082 9.926 7.311 1.00 35.55 H new ATOM 0 HH TYR A 80 4.608 8.623 6.365 1.00 21.42 H new ATOM 1269 N VAL A 81 1.372 14.473 5.615 1.00 23.45 N ATOM 1270 CA VAL A 81 -0.051 14.247 5.455 1.00 4.45 C ATOM 1271 C VAL A 81 -0.286 12.950 4.691 1.00 41.11 C ATOM 1272 O VAL A 81 0.519 12.554 3.847 1.00 14.33 O ATOM 1273 CB VAL A 81 -0.717 15.517 4.912 1.00 3.02 C ATOM 1274 CG1 VAL A 81 -0.027 16.240 3.772 1.00 33.24 C ATOM 1275 CG2 VAL A 81 -2.197 15.353 4.570 1.00 35.14 C ATOM 0 H VAL A 81 1.939 14.106 4.850 1.00 23.45 H new ATOM 0 HA VAL A 81 -0.553 14.077 6.407 1.00 4.45 H new ATOM 0 HB VAL A 81 -0.606 16.161 5.785 1.00 3.02 H new ATOM 0 HG11 VAL A 81 -0.610 17.118 3.492 1.00 33.24 H new ATOM 0 HG12 VAL A 81 0.969 16.551 4.088 1.00 33.24 H new ATOM 0 HG13 VAL A 81 0.057 15.572 2.915 1.00 33.24 H new ATOM 0 HG21 VAL A 81 -2.590 16.297 4.193 1.00 35.14 H new ATOM 0 HG22 VAL A 81 -2.311 14.582 3.808 1.00 35.14 H new ATOM 0 HG23 VAL A 81 -2.747 15.062 5.465 1.00 35.14 H new ATOM 1285 N SER A 82 -1.397 12.287 5.008 1.00 40.42 N ATOM 1286 CA SER A 82 -1.861 11.068 4.371 1.00 24.15 C ATOM 1287 C SER A 82 -3.343 11.301 4.108 1.00 44.01 C ATOM 1288 O SER A 82 -4.104 11.488 5.061 1.00 11.21 O ATOM 1289 CB SER A 82 -1.632 9.842 5.273 1.00 20.51 C ATOM 1290 OG SER A 82 -0.403 9.915 5.980 1.00 64.12 O ATOM 0 H SER A 82 -2.022 12.604 5.749 1.00 40.42 H new ATOM 0 HA SER A 82 -1.316 10.856 3.451 1.00 24.15 H new ATOM 0 HB2 SER A 82 -2.453 9.759 5.985 1.00 20.51 H new ATOM 0 HB3 SER A 82 -1.645 8.938 4.664 1.00 20.51 H new ATOM 0 HG SER A 82 -0.300 9.118 6.541 1.00 64.12 H new ATOM 1296 N LYS A 83 -3.742 11.436 2.844 1.00 73.32 N ATOM 1297 CA LYS A 83 -5.117 11.606 2.401 1.00 13.01 C ATOM 1298 C LYS A 83 -5.293 10.912 1.056 1.00 62.31 C ATOM 1299 O LYS A 83 -4.332 10.655 0.326 1.00 44.43 O ATOM 1300 CB LYS A 83 -5.436 13.103 2.234 1.00 24.42 C ATOM 1301 CG LYS A 83 -5.614 13.779 3.596 1.00 21.14 C ATOM 1302 CD LYS A 83 -6.200 15.191 3.463 1.00 15.12 C ATOM 1303 CE LYS A 83 -5.075 16.187 3.176 1.00 23.53 C ATOM 1304 NZ LYS A 83 -5.520 17.418 2.502 1.00 14.01 N ATOM 0 H LYS A 83 -3.081 11.429 2.068 1.00 73.32 H new ATOM 0 HA LYS A 83 -5.789 11.174 3.142 1.00 13.01 H new ATOM 0 HB2 LYS A 83 -4.632 13.591 1.684 1.00 24.42 H new ATOM 0 HB3 LYS A 83 -6.344 13.222 1.643 1.00 24.42 H new ATOM 0 HG2 LYS A 83 -6.270 13.171 4.220 1.00 21.14 H new ATOM 0 HG3 LYS A 83 -4.651 13.832 4.103 1.00 21.14 H new ATOM 0 HD2 LYS A 83 -6.936 15.216 2.659 1.00 15.12 H new ATOM 0 HD3 LYS A 83 -6.720 15.468 4.380 1.00 15.12 H new ATOM 0 HE2 LYS A 83 -4.592 16.454 4.116 1.00 23.53 H new ATOM 0 HE3 LYS A 83 -4.321 15.699 2.558 1.00 23.53 H new ATOM 0 HZ1 LYS A 83 -4.703 18.041 2.342 1.00 14.01 H new ATOM 0 HZ2 LYS A 83 -5.955 17.176 1.589 1.00 14.01 H new ATOM 0 HZ3 LYS A 83 -6.217 17.908 3.098 1.00 14.01 H new ATOM 1318 N PHE A 84 -6.547 10.668 0.694 1.00 12.42 N ATOM 1319 CA PHE A 84 -6.913 10.323 -0.656 1.00 32.23 C ATOM 1320 C PHE A 84 -6.669 11.528 -1.553 1.00 42.10 C ATOM 1321 O PHE A 84 -6.845 12.675 -1.126 1.00 43.24 O ATOM 1322 CB PHE A 84 -8.348 9.777 -0.736 1.00 71.30 C ATOM 1323 CG PHE A 84 -9.483 10.685 -0.286 1.00 42.20 C ATOM 1324 CD1 PHE A 84 -9.911 11.711 -1.152 1.00 21.11 C ATOM 1325 CD2 PHE A 84 -10.171 10.473 0.933 1.00 40.33 C ATOM 1326 CE1 PHE A 84 -10.999 12.526 -0.808 1.00 40.41 C ATOM 1327 CE2 PHE A 84 -11.291 11.262 1.248 1.00 21.51 C ATOM 1328 CZ PHE A 84 -11.697 12.293 0.386 1.00 21.35 C ATOM 0 H PHE A 84 -7.336 10.707 1.339 1.00 12.42 H new ATOM 0 HA PHE A 84 -6.286 9.506 -1.013 1.00 32.23 H new ATOM 0 HB2 PHE A 84 -8.539 9.491 -1.770 1.00 71.30 H new ATOM 0 HB3 PHE A 84 -8.393 8.866 -0.139 1.00 71.30 H new ATOM 0 HD1 PHE A 84 -9.397 11.871 -2.088 1.00 21.11 H new ATOM 0 HD2 PHE A 84 -9.837 9.708 1.618 1.00 40.33 H new ATOM 0 HE1 PHE A 84 -11.299 13.332 -1.461 1.00 40.41 H new ATOM 0 HE2 PHE A 84 -11.842 11.074 2.158 1.00 21.51 H new ATOM 0 HZ PHE A 84 -12.547 12.907 0.642 1.00 21.35 H new ATOM 1338 N THR A 85 -6.289 11.259 -2.795 1.00 42.03 N ATOM 1339 CA THR A 85 -6.142 12.271 -3.823 1.00 22.23 C ATOM 1340 C THR A 85 -7.411 12.272 -4.683 1.00 61.52 C ATOM 1341 O THR A 85 -8.033 13.314 -4.893 1.00 44.14 O ATOM 1342 CB THR A 85 -4.853 12.013 -4.629 1.00 31.33 C ATOM 1343 OG1 THR A 85 -4.903 10.772 -5.303 1.00 33.45 O ATOM 1344 CG2 THR A 85 -3.594 12.008 -3.756 1.00 62.14 C ATOM 0 H THR A 85 -6.072 10.316 -3.118 1.00 42.03 H new ATOM 0 HA THR A 85 -6.035 13.266 -3.392 1.00 22.23 H new ATOM 0 HB THR A 85 -4.796 12.837 -5.340 1.00 31.33 H new ATOM 0 HG1 THR A 85 -4.072 10.639 -5.806 1.00 33.45 H new ATOM 0 HG21 THR A 85 -2.720 11.822 -4.380 1.00 62.14 H new ATOM 0 HG22 THR A 85 -3.489 12.975 -3.263 1.00 62.14 H new ATOM 0 HG23 THR A 85 -3.676 11.224 -3.003 1.00 62.14 H new ATOM 1352 N LEU A 86 -7.843 11.093 -5.148 1.00 53.42 N ATOM 1353 CA LEU A 86 -8.983 10.937 -6.044 1.00 54.10 C ATOM 1354 C LEU A 86 -10.232 10.634 -5.230 1.00 71.53 C ATOM 1355 O LEU A 86 -10.179 9.795 -4.330 1.00 32.32 O ATOM 1356 CB LEU A 86 -8.714 9.810 -7.053 1.00 24.15 C ATOM 1357 CG LEU A 86 -9.845 9.634 -8.088 1.00 22.43 C ATOM 1358 CD1 LEU A 86 -9.968 10.854 -9.012 1.00 61.30 C ATOM 1359 CD2 LEU A 86 -9.602 8.376 -8.923 1.00 3.43 C ATOM 0 H LEU A 86 -7.398 10.208 -4.904 1.00 53.42 H new ATOM 0 HA LEU A 86 -9.135 11.864 -6.597 1.00 54.10 H new ATOM 0 HB2 LEU A 86 -7.781 10.016 -7.577 1.00 24.15 H new ATOM 0 HB3 LEU A 86 -8.576 8.873 -6.513 1.00 24.15 H new ATOM 0 HG LEU A 86 -10.781 9.535 -7.538 1.00 22.43 H new ATOM 0 HD11 LEU A 86 -10.775 10.690 -9.726 1.00 61.30 H new ATOM 0 HD12 LEU A 86 -10.185 11.741 -8.417 1.00 61.30 H new ATOM 0 HD13 LEU A 86 -9.031 10.998 -9.551 1.00 61.30 H new ATOM 0 HD21 LEU A 86 -10.406 8.261 -9.650 1.00 3.43 H new ATOM 0 HD22 LEU A 86 -8.650 8.465 -9.446 1.00 3.43 H new ATOM 0 HD23 LEU A 86 -9.577 7.504 -8.269 1.00 3.43 H new ATOM 1371 N ASN A 87 -11.351 11.268 -5.591 1.00 63.10 N ATOM 1372 CA ASN A 87 -12.656 11.042 -4.983 1.00 12.25 C ATOM 1373 C ASN A 87 -13.644 10.594 -6.059 1.00 60.51 C ATOM 1374 O ASN A 87 -14.527 11.355 -6.465 1.00 55.34 O ATOM 1375 CB ASN A 87 -13.108 12.306 -4.233 1.00 20.44 C ATOM 1376 CG ASN A 87 -14.237 11.996 -3.260 1.00 64.30 C ATOM 1377 OD1 ASN A 87 -14.069 11.199 -2.344 1.00 53.33 O ATOM 1378 ND2 ASN A 87 -15.397 12.606 -3.378 1.00 40.40 N ATOM 0 H ASN A 87 -11.370 11.968 -6.332 1.00 63.10 H new ATOM 0 HA ASN A 87 -12.603 10.243 -4.243 1.00 12.25 H new ATOM 0 HB2 ASN A 87 -12.264 12.731 -3.691 1.00 20.44 H new ATOM 0 HB3 ASN A 87 -13.438 13.058 -4.949 1.00 20.44 H new ATOM 0 HD21 ASN A 87 -16.145 12.414 -2.711 1.00 40.40 H new ATOM 0 HD22 ASN A 87 -15.549 13.271 -4.136 1.00 40.40 H new ATOM 1385 N GLU A 88 -13.450 9.382 -6.576 1.00 51.24 N ATOM 1386 CA GLU A 88 -14.333 8.681 -7.508 1.00 0.11 C ATOM 1387 C GLU A 88 -14.943 7.472 -6.784 1.00 1.32 C ATOM 1388 O GLU A 88 -14.430 7.055 -5.741 1.00 12.22 O ATOM 1389 CB GLU A 88 -13.503 8.240 -8.724 1.00 23.24 C ATOM 1390 CG GLU A 88 -13.312 9.364 -9.742 1.00 15.34 C ATOM 1391 CD GLU A 88 -14.303 9.417 -10.906 1.00 43.43 C ATOM 1392 OE1 GLU A 88 -15.265 8.616 -10.955 1.00 62.14 O ATOM 1393 OE2 GLU A 88 -14.081 10.276 -11.791 1.00 60.31 O ATOM 0 H GLU A 88 -12.624 8.831 -6.342 1.00 51.24 H new ATOM 0 HA GLU A 88 -15.142 9.326 -7.852 1.00 0.11 H new ATOM 0 HB2 GLU A 88 -12.527 7.891 -8.386 1.00 23.24 H new ATOM 0 HB3 GLU A 88 -13.994 7.396 -9.208 1.00 23.24 H new ATOM 0 HG2 GLU A 88 -13.361 10.315 -9.211 1.00 15.34 H new ATOM 0 HG3 GLU A 88 -12.307 9.281 -10.155 1.00 15.34 H new ATOM 1400 N PRO A 89 -16.040 6.888 -7.292 1.00 72.42 N ATOM 1401 CA PRO A 89 -16.727 5.805 -6.614 1.00 21.41 C ATOM 1402 C PRO A 89 -15.939 4.502 -6.737 1.00 24.35 C ATOM 1403 O PRO A 89 -15.645 3.885 -5.716 1.00 73.23 O ATOM 1404 CB PRO A 89 -18.115 5.731 -7.249 1.00 25.22 C ATOM 1405 CG PRO A 89 -17.934 6.315 -8.646 1.00 4.11 C ATOM 1406 CD PRO A 89 -16.718 7.237 -8.527 1.00 73.13 C ATOM 0 HA PRO A 89 -16.817 5.977 -5.542 1.00 21.41 H new ATOM 0 HB2 PRO A 89 -18.476 4.703 -7.293 1.00 25.22 H new ATOM 0 HB3 PRO A 89 -18.845 6.301 -6.673 1.00 25.22 H new ATOM 0 HG2 PRO A 89 -17.766 5.531 -9.384 1.00 4.11 H new ATOM 0 HG3 PRO A 89 -18.819 6.866 -8.963 1.00 4.11 H new ATOM 0 HD2 PRO A 89 -16.053 7.110 -9.381 1.00 73.13 H new ATOM 0 HD3 PRO A 89 -17.026 8.282 -8.516 1.00 73.13 H new ATOM 1414 N LYS A 90 -15.614 4.073 -7.963 1.00 42.31 N ATOM 1415 CA LYS A 90 -15.051 2.751 -8.269 1.00 24.54 C ATOM 1416 C LYS A 90 -13.532 2.765 -8.494 1.00 23.41 C ATOM 1417 O LYS A 90 -12.952 1.702 -8.705 1.00 50.24 O ATOM 1418 CB LYS A 90 -15.773 2.145 -9.489 1.00 41.32 C ATOM 1419 CG LYS A 90 -17.275 1.858 -9.327 1.00 14.22 C ATOM 1420 CD LYS A 90 -17.600 0.963 -8.130 1.00 21.13 C ATOM 1421 CE LYS A 90 -18.167 1.746 -6.951 1.00 33.53 C ATOM 1422 NZ LYS A 90 -19.622 1.933 -7.109 1.00 64.50 N ATOM 0 H LYS A 90 -15.739 4.652 -8.793 1.00 42.31 H new ATOM 0 HA LYS A 90 -15.217 2.129 -7.389 1.00 24.54 H new ATOM 0 HB2 LYS A 90 -15.645 2.823 -10.332 1.00 41.32 H new ATOM 0 HB3 LYS A 90 -15.274 1.212 -9.751 1.00 41.32 H new ATOM 0 HG2 LYS A 90 -17.808 2.803 -9.219 1.00 14.22 H new ATOM 0 HG3 LYS A 90 -17.646 1.385 -10.236 1.00 14.22 H new ATOM 0 HD2 LYS A 90 -18.318 0.201 -8.435 1.00 21.13 H new ATOM 0 HD3 LYS A 90 -16.696 0.442 -7.815 1.00 21.13 H new ATOM 0 HE2 LYS A 90 -17.961 1.216 -6.021 1.00 33.53 H new ATOM 0 HE3 LYS A 90 -17.675 2.716 -6.880 1.00 33.53 H new ATOM 0 HZ1 LYS A 90 -19.993 2.468 -6.298 1.00 64.50 H new ATOM 0 HZ2 LYS A 90 -19.811 2.458 -7.986 1.00 64.50 H new ATOM 0 HZ3 LYS A 90 -20.088 1.005 -7.154 1.00 64.50 H new ATOM 1436 N HIS A 91 -12.884 3.927 -8.434 1.00 21.32 N ATOM 1437 CA HIS A 91 -11.436 4.124 -8.475 1.00 33.12 C ATOM 1438 C HIS A 91 -11.155 5.067 -7.301 1.00 44.11 C ATOM 1439 O HIS A 91 -11.929 6.000 -7.096 1.00 70.32 O ATOM 1440 CB HIS A 91 -11.052 4.753 -9.829 1.00 22.13 C ATOM 1441 CG HIS A 91 -9.568 4.876 -10.107 1.00 21.31 C ATOM 1442 ND1 HIS A 91 -8.994 5.478 -11.210 1.00 64.23 N ATOM 1443 CD2 HIS A 91 -8.544 4.354 -9.362 1.00 12.25 C ATOM 1444 CE1 HIS A 91 -7.662 5.305 -11.125 1.00 61.00 C ATOM 1445 NE2 HIS A 91 -7.346 4.624 -10.013 1.00 11.52 N ATOM 0 H HIS A 91 -13.387 4.810 -8.350 1.00 21.32 H new ATOM 0 HA HIS A 91 -10.858 3.204 -8.388 1.00 33.12 H new ATOM 0 HB2 HIS A 91 -11.502 4.159 -10.624 1.00 22.13 H new ATOM 0 HB3 HIS A 91 -11.495 5.747 -9.884 1.00 22.13 H new ATOM 0 HD2 HIS A 91 -8.650 3.823 -8.428 1.00 12.25 H new ATOM 0 HE1 HIS A 91 -6.947 5.664 -11.851 1.00 61.00 H new ATOM 0 HE2 HIS A 91 -6.411 4.357 -9.706 1.00 11.52 H new ATOM 1453 N LYS A 92 -10.124 4.847 -6.485 1.00 23.55 N ATOM 1454 CA LYS A 92 -9.802 5.712 -5.343 1.00 54.31 C ATOM 1455 C LYS A 92 -8.300 5.614 -5.116 1.00 3.23 C ATOM 1456 O LYS A 92 -7.741 4.541 -5.313 1.00 73.40 O ATOM 1457 CB LYS A 92 -10.643 5.250 -4.136 1.00 54.31 C ATOM 1458 CG LYS A 92 -10.866 6.298 -3.033 1.00 13.01 C ATOM 1459 CD LYS A 92 -9.759 6.344 -1.964 1.00 65.40 C ATOM 1460 CE LYS A 92 -10.281 6.796 -0.590 1.00 3.04 C ATOM 1461 NZ LYS A 92 -11.306 5.888 -0.023 1.00 65.41 N ATOM 0 H LYS A 92 -9.484 4.061 -6.596 1.00 23.55 H new ATOM 0 HA LYS A 92 -10.046 6.761 -5.513 1.00 54.31 H new ATOM 0 HB2 LYS A 92 -11.616 4.921 -4.500 1.00 54.31 H new ATOM 0 HB3 LYS A 92 -10.159 4.380 -3.692 1.00 54.31 H new ATOM 0 HG2 LYS A 92 -10.949 7.282 -3.495 1.00 13.01 H new ATOM 0 HG3 LYS A 92 -11.818 6.095 -2.543 1.00 13.01 H new ATOM 0 HD2 LYS A 92 -9.309 5.356 -1.870 1.00 65.40 H new ATOM 0 HD3 LYS A 92 -8.972 7.023 -2.291 1.00 65.40 H new ATOM 0 HE2 LYS A 92 -9.443 6.865 0.104 1.00 3.04 H new ATOM 0 HE3 LYS A 92 -10.703 7.797 -0.681 1.00 3.04 H new ATOM 0 HZ1 LYS A 92 -11.335 5.999 1.011 1.00 65.41 H new ATOM 0 HZ2 LYS A 92 -12.237 6.123 -0.423 1.00 65.41 H new ATOM 0 HZ3 LYS A 92 -11.066 4.904 -0.259 1.00 65.41 H new ATOM 1475 N ILE A 93 -7.626 6.705 -4.753 1.00 62.22 N ATOM 1476 CA ILE A 93 -6.161 6.770 -4.716 1.00 61.44 C ATOM 1477 C ILE A 93 -5.779 7.453 -3.399 1.00 41.20 C ATOM 1478 O ILE A 93 -6.459 8.400 -3.001 1.00 63.22 O ATOM 1479 CB ILE A 93 -5.642 7.498 -5.981 1.00 51.22 C ATOM 1480 CG1 ILE A 93 -5.982 6.716 -7.276 1.00 53.44 C ATOM 1481 CG2 ILE A 93 -4.121 7.710 -5.906 1.00 52.31 C ATOM 1482 CD1 ILE A 93 -5.888 7.562 -8.547 1.00 52.33 C ATOM 0 H ILE A 93 -8.081 7.574 -4.474 1.00 62.22 H new ATOM 0 HA ILE A 93 -5.693 5.786 -4.736 1.00 61.44 H new ATOM 0 HB ILE A 93 -6.145 8.465 -6.016 1.00 51.22 H new ATOM 0 HG12 ILE A 93 -5.305 5.866 -7.365 1.00 53.44 H new ATOM 0 HG13 ILE A 93 -6.991 6.313 -7.192 1.00 53.44 H new ATOM 0 HG21 ILE A 93 -3.780 8.223 -6.805 1.00 52.31 H new ATOM 0 HG22 ILE A 93 -3.880 8.314 -5.031 1.00 52.31 H new ATOM 0 HG23 ILE A 93 -3.622 6.744 -5.828 1.00 52.31 H new ATOM 0 HD11 ILE A 93 -6.139 6.948 -9.412 1.00 52.33 H new ATOM 0 HD12 ILE A 93 -6.585 8.398 -8.480 1.00 52.33 H new ATOM 0 HD13 ILE A 93 -4.873 7.944 -8.656 1.00 52.33 H new ATOM 1494 N PHE A 94 -4.724 6.982 -2.725 1.00 54.24 N ATOM 1495 CA PHE A 94 -4.349 7.284 -1.348 1.00 10.22 C ATOM 1496 C PHE A 94 -2.827 7.364 -1.280 1.00 42.14 C ATOM 1497 O PHE A 94 -2.131 6.354 -1.415 1.00 3.12 O ATOM 1498 CB PHE A 94 -4.938 6.209 -0.415 1.00 72.23 C ATOM 1499 CG PHE A 94 -4.708 6.406 1.071 1.00 23.32 C ATOM 1500 CD1 PHE A 94 -5.405 7.413 1.765 1.00 31.44 C ATOM 1501 CD2 PHE A 94 -3.817 5.568 1.771 1.00 23.45 C ATOM 1502 CE1 PHE A 94 -5.189 7.607 3.142 1.00 22.53 C ATOM 1503 CE2 PHE A 94 -3.614 5.751 3.151 1.00 12.45 C ATOM 1504 CZ PHE A 94 -4.299 6.771 3.835 1.00 33.12 C ATOM 0 H PHE A 94 -4.067 6.335 -3.162 1.00 54.24 H new ATOM 0 HA PHE A 94 -4.751 8.242 -1.018 1.00 10.22 H new ATOM 0 HB2 PHE A 94 -6.013 6.156 -0.590 1.00 72.23 H new ATOM 0 HB3 PHE A 94 -4.521 5.243 -0.700 1.00 72.23 H new ATOM 0 HD1 PHE A 94 -6.109 8.040 1.238 1.00 31.44 H new ATOM 0 HD2 PHE A 94 -3.289 4.784 1.247 1.00 23.45 H new ATOM 0 HE1 PHE A 94 -5.707 8.398 3.665 1.00 22.53 H new ATOM 0 HE2 PHE A 94 -2.931 5.107 3.686 1.00 12.45 H new ATOM 0 HZ PHE A 94 -4.140 6.911 4.894 1.00 33.12 H new ATOM 1514 N GLU A 95 -2.294 8.575 -1.126 1.00 40.02 N ATOM 1515 CA GLU A 95 -0.864 8.871 -1.220 1.00 64.50 C ATOM 1516 C GLU A 95 -0.475 9.667 0.025 1.00 12.24 C ATOM 1517 O GLU A 95 -1.311 10.415 0.545 1.00 14.12 O ATOM 1518 CB GLU A 95 -0.575 9.613 -2.538 1.00 40.51 C ATOM 1519 CG GLU A 95 -0.981 8.754 -3.757 1.00 73.10 C ATOM 1520 CD GLU A 95 -0.582 9.315 -5.131 1.00 0.34 C ATOM 1521 OE1 GLU A 95 -0.055 10.447 -5.197 1.00 13.13 O ATOM 1522 OE2 GLU A 95 -0.741 8.582 -6.142 1.00 74.14 O ATOM 0 H GLU A 95 -2.860 9.400 -0.927 1.00 40.02 H new ATOM 0 HA GLU A 95 -0.259 7.965 -1.246 1.00 64.50 H new ATOM 0 HB2 GLU A 95 -1.120 10.557 -2.556 1.00 40.51 H new ATOM 0 HB3 GLU A 95 0.486 9.857 -2.597 1.00 40.51 H new ATOM 0 HG2 GLU A 95 -0.536 7.765 -3.646 1.00 73.10 H new ATOM 0 HG3 GLU A 95 -2.063 8.620 -3.740 1.00 73.10 H new ATOM 1529 N ALA A 96 0.724 9.447 0.567 1.00 40.32 N ATOM 1530 CA ALA A 96 1.155 10.019 1.832 1.00 4.35 C ATOM 1531 C ALA A 96 2.626 10.390 1.763 1.00 33.31 C ATOM 1532 O ALA A 96 3.447 9.621 1.247 1.00 32.33 O ATOM 1533 CB ALA A 96 0.963 9.015 2.970 1.00 31.22 C ATOM 0 H ALA A 96 1.430 8.856 0.128 1.00 40.32 H new ATOM 0 HA ALA A 96 0.552 10.907 2.021 1.00 4.35 H new ATOM 0 HB1 ALA A 96 1.291 9.462 3.909 1.00 31.22 H new ATOM 0 HB2 ALA A 96 -0.091 8.747 3.045 1.00 31.22 H new ATOM 0 HB3 ALA A 96 1.552 8.120 2.769 1.00 31.22 H new ATOM 1539 N GLY A 97 2.959 11.528 2.359 1.00 33.33 N ATOM 1540 CA GLY A 97 4.288 12.106 2.346 1.00 52.12 C ATOM 1541 C GLY A 97 4.257 13.493 2.960 1.00 72.14 C ATOM 1542 O GLY A 97 3.260 13.898 3.563 1.00 14.05 O ATOM 0 H GLY A 97 2.286 12.089 2.881 1.00 33.33 H new ATOM 0 HA2 GLY A 97 4.976 11.469 2.902 1.00 52.12 H new ATOM 0 HA3 GLY A 97 4.660 12.161 1.323 1.00 52.12 H new ATOM 1546 N TYR A 98 5.348 14.231 2.795 1.00 24.15 N ATOM 1547 CA TYR A 98 5.320 15.666 2.976 1.00 20.12 C ATOM 1548 C TYR A 98 4.564 16.294 1.809 1.00 75.54 C ATOM 1549 O TYR A 98 4.807 15.926 0.658 1.00 21.02 O ATOM 1550 CB TYR A 98 6.749 16.188 3.081 1.00 51.41 C ATOM 1551 CG TYR A 98 7.355 15.937 4.443 1.00 62.11 C ATOM 1552 CD1 TYR A 98 6.783 16.571 5.555 1.00 31.41 C ATOM 1553 CD2 TYR A 98 8.438 15.059 4.620 1.00 11.04 C ATOM 1554 CE1 TYR A 98 7.261 16.347 6.855 1.00 52.34 C ATOM 1555 CE2 TYR A 98 8.935 14.822 5.913 1.00 44.41 C ATOM 1556 CZ TYR A 98 8.351 15.455 7.034 1.00 2.01 C ATOM 1557 OH TYR A 98 8.851 15.155 8.263 1.00 42.14 O ATOM 0 H TYR A 98 6.260 13.854 2.536 1.00 24.15 H new ATOM 0 HA TYR A 98 4.803 15.933 3.898 1.00 20.12 H new ATOM 0 HB2 TYR A 98 7.364 15.710 2.319 1.00 51.41 H new ATOM 0 HB3 TYR A 98 6.758 17.258 2.874 1.00 51.41 H new ATOM 0 HD1 TYR A 98 5.955 17.248 5.407 1.00 31.41 H new ATOM 0 HD2 TYR A 98 8.886 14.569 3.768 1.00 11.04 H new ATOM 0 HE1 TYR A 98 6.809 16.843 7.702 1.00 52.34 H new ATOM 0 HE2 TYR A 98 9.770 14.151 6.051 1.00 44.41 H new ATOM 0 HH TYR A 98 8.315 15.601 8.952 1.00 42.14 H new ATOM 1567 N GLU A 99 3.686 17.262 2.089 1.00 35.45 N ATOM 1568 CA GLU A 99 2.780 17.846 1.090 1.00 2.35 C ATOM 1569 C GLU A 99 3.574 18.449 -0.081 1.00 40.13 C ATOM 1570 O GLU A 99 3.153 18.393 -1.238 1.00 44.33 O ATOM 1571 CB GLU A 99 1.876 18.889 1.789 1.00 73.53 C ATOM 1572 CG GLU A 99 0.373 18.805 1.443 1.00 11.41 C ATOM 1573 CD GLU A 99 -0.173 19.753 0.366 1.00 53.34 C ATOM 1574 OE1 GLU A 99 0.512 20.680 -0.106 1.00 54.40 O ATOM 1575 OE2 GLU A 99 -1.392 19.643 0.080 1.00 74.54 O ATOM 0 H GLU A 99 3.582 17.666 3.020 1.00 35.45 H new ATOM 0 HA GLU A 99 2.145 17.071 0.661 1.00 2.35 H new ATOM 0 HB2 GLU A 99 1.989 18.778 2.867 1.00 73.53 H new ATOM 0 HB3 GLU A 99 2.235 19.886 1.532 1.00 73.53 H new ATOM 0 HG2 GLU A 99 0.160 17.784 1.128 1.00 11.41 H new ATOM 0 HG3 GLU A 99 -0.191 18.980 2.359 1.00 11.41 H new ATOM 1582 N GLU A 100 4.780 18.937 0.211 1.00 43.23 N ATOM 1583 CA GLU A 100 5.700 19.588 -0.713 1.00 62.00 C ATOM 1584 C GLU A 100 7.065 18.876 -0.683 1.00 43.40 C ATOM 1585 O GLU A 100 8.099 19.511 -0.885 1.00 21.04 O ATOM 1586 CB GLU A 100 5.775 21.089 -0.357 1.00 74.23 C ATOM 1587 CG GLU A 100 4.519 21.872 -0.780 1.00 61.13 C ATOM 1588 CD GLU A 100 4.616 22.323 -2.240 1.00 11.52 C ATOM 1589 OE1 GLU A 100 4.477 21.487 -3.166 1.00 55.23 O ATOM 1590 OE2 GLU A 100 4.902 23.520 -2.464 1.00 62.01 O ATOM 0 H GLU A 100 5.160 18.884 1.156 1.00 43.23 H new ATOM 0 HA GLU A 100 5.347 19.515 -1.742 1.00 62.00 H new ATOM 0 HB2 GLU A 100 5.917 21.195 0.719 1.00 74.23 H new ATOM 0 HB3 GLU A 100 6.649 21.528 -0.839 1.00 74.23 H new ATOM 0 HG2 GLU A 100 3.636 21.248 -0.647 1.00 61.13 H new ATOM 0 HG3 GLU A 100 4.395 22.742 -0.135 1.00 61.13 H new ATOM 1597 N SER A 101 7.107 17.563 -0.423 1.00 32.42 N ATOM 1598 CA SER A 101 8.316 16.766 -0.607 1.00 73.20 C ATOM 1599 C SER A 101 7.961 15.339 -1.047 1.00 22.14 C ATOM 1600 O SER A 101 6.875 15.102 -1.579 1.00 34.05 O ATOM 1601 CB SER A 101 9.199 16.837 0.649 1.00 12.22 C ATOM 1602 OG SER A 101 10.578 16.963 0.346 1.00 75.20 O ATOM 0 H SER A 101 6.307 17.031 -0.082 1.00 32.42 H new ATOM 0 HA SER A 101 8.915 17.182 -1.417 1.00 73.20 H new ATOM 0 HB2 SER A 101 8.887 17.685 1.259 1.00 12.22 H new ATOM 0 HB3 SER A 101 9.044 15.939 1.247 1.00 12.22 H new ATOM 0 HG SER A 101 11.093 17.006 1.179 1.00 75.20 H new ATOM 1608 N GLU A 102 8.917 14.411 -0.939 1.00 53.32 N ATOM 1609 CA GLU A 102 8.744 13.027 -1.374 1.00 73.30 C ATOM 1610 C GLU A 102 7.721 12.264 -0.517 1.00 40.12 C ATOM 1611 O GLU A 102 7.513 12.578 0.660 1.00 73.23 O ATOM 1612 CB GLU A 102 10.081 12.288 -1.546 1.00 4.53 C ATOM 1613 CG GLU A 102 10.705 12.055 -0.184 1.00 60.41 C ATOM 1614 CD GLU A 102 12.234 11.974 -0.224 1.00 74.10 C ATOM 1615 OE1 GLU A 102 12.792 10.962 -0.716 1.00 32.02 O ATOM 1616 OE2 GLU A 102 12.911 12.922 0.234 1.00 43.33 O ATOM 0 H GLU A 102 9.838 14.603 -0.544 1.00 53.32 H new ATOM 0 HA GLU A 102 8.310 13.067 -2.373 1.00 73.30 H new ATOM 0 HB2 GLU A 102 9.921 11.336 -2.053 1.00 4.53 H new ATOM 0 HB3 GLU A 102 10.755 12.873 -2.172 1.00 4.53 H new ATOM 0 HG2 GLU A 102 10.408 12.861 0.487 1.00 60.41 H new ATOM 0 HG3 GLU A 102 10.310 11.130 0.236 1.00 60.41 H new ATOM 1623 N VAL A 103 7.104 11.243 -1.112 1.00 31.35 N ATOM 1624 CA VAL A 103 6.197 10.312 -0.448 1.00 15.14 C ATOM 1625 C VAL A 103 6.942 9.326 0.449 1.00 2.43 C ATOM 1626 O VAL A 103 8.160 9.167 0.349 1.00 3.13 O ATOM 1627 CB VAL A 103 5.357 9.542 -1.487 1.00 60.02 C ATOM 1628 CG1 VAL A 103 4.296 10.451 -2.102 1.00 40.20 C ATOM 1629 CG2 VAL A 103 6.229 8.895 -2.569 1.00 31.41 C ATOM 0 H VAL A 103 7.227 11.036 -2.103 1.00 31.35 H new ATOM 0 HA VAL A 103 5.537 10.905 0.185 1.00 15.14 H new ATOM 0 HB VAL A 103 4.852 8.731 -0.962 1.00 60.02 H new ATOM 0 HG11 VAL A 103 3.714 9.889 -2.832 1.00 40.20 H new ATOM 0 HG12 VAL A 103 3.635 10.821 -1.318 1.00 40.20 H new ATOM 0 HG13 VAL A 103 4.780 11.294 -2.595 1.00 40.20 H new ATOM 0 HG21 VAL A 103 5.594 8.364 -3.278 1.00 31.41 H new ATOM 0 HG22 VAL A 103 6.791 9.668 -3.093 1.00 31.41 H new ATOM 0 HG23 VAL A 103 6.922 8.193 -2.106 1.00 31.41 H new ATOM 1639 N ASP A 104 6.169 8.585 1.242 1.00 1.21 N ATOM 1640 CA ASP A 104 6.630 7.424 2.002 1.00 62.02 C ATOM 1641 C ASP A 104 5.721 6.210 1.803 1.00 41.54 C ATOM 1642 O ASP A 104 6.115 5.089 2.102 1.00 54.41 O ATOM 1643 CB ASP A 104 6.676 7.779 3.492 1.00 50.24 C ATOM 1644 CG ASP A 104 7.714 6.936 4.237 1.00 61.40 C ATOM 1645 OD1 ASP A 104 8.910 7.165 3.962 1.00 65.23 O ATOM 1646 OD2 ASP A 104 7.339 6.097 5.094 1.00 72.20 O ATOM 0 H ASP A 104 5.177 8.781 1.377 1.00 1.21 H new ATOM 0 HA ASP A 104 7.623 7.162 1.638 1.00 62.02 H new ATOM 0 HB2 ASP A 104 6.913 8.837 3.608 1.00 50.24 H new ATOM 0 HB3 ASP A 104 5.693 7.622 3.935 1.00 50.24 H new ATOM 1651 N LEU A 105 4.495 6.405 1.296 1.00 25.41 N ATOM 1652 CA LEU A 105 3.505 5.342 1.135 1.00 73.12 C ATOM 1653 C LEU A 105 2.531 5.766 0.035 1.00 42.33 C ATOM 1654 O LEU A 105 1.884 6.811 0.157 1.00 51.30 O ATOM 1655 CB LEU A 105 2.768 5.117 2.472 1.00 14.33 C ATOM 1656 CG LEU A 105 1.732 3.973 2.441 1.00 3.14 C ATOM 1657 CD1 LEU A 105 2.374 2.612 2.740 1.00 24.42 C ATOM 1658 CD2 LEU A 105 0.632 4.240 3.476 1.00 73.23 C ATOM 0 H LEU A 105 4.164 7.318 0.984 1.00 25.41 H new ATOM 0 HA LEU A 105 3.983 4.403 0.854 1.00 73.12 H new ATOM 0 HB2 LEU A 105 3.504 4.904 3.248 1.00 14.33 H new ATOM 0 HB3 LEU A 105 2.264 6.041 2.755 1.00 14.33 H new ATOM 0 HG LEU A 105 1.311 3.941 1.436 1.00 3.14 H new ATOM 0 HD11 LEU A 105 1.610 1.835 2.708 1.00 24.42 H new ATOM 0 HD12 LEU A 105 3.140 2.399 1.994 1.00 24.42 H new ATOM 0 HD13 LEU A 105 2.829 2.634 3.730 1.00 24.42 H new ATOM 0 HD21 LEU A 105 -0.097 3.430 3.450 1.00 73.23 H new ATOM 0 HD22 LEU A 105 1.074 4.298 4.470 1.00 73.23 H new ATOM 0 HD23 LEU A 105 0.135 5.182 3.244 1.00 73.23 H new ATOM 1670 N ARG A 106 2.394 4.982 -1.035 1.00 52.13 N ATOM 1671 CA ARG A 106 1.370 5.206 -2.064 1.00 74.12 C ATOM 1672 C ARG A 106 0.602 3.907 -2.288 1.00 14.42 C ATOM 1673 O ARG A 106 1.112 2.826 -2.000 1.00 54.53 O ATOM 1674 CB ARG A 106 1.977 5.756 -3.374 1.00 73.41 C ATOM 1675 CG ARG A 106 2.454 7.214 -3.282 1.00 42.20 C ATOM 1676 CD ARG A 106 2.540 7.914 -4.657 1.00 30.12 C ATOM 1677 NE ARG A 106 3.908 8.020 -5.192 1.00 31.01 N ATOM 1678 CZ ARG A 106 4.595 7.116 -5.899 1.00 33.01 C ATOM 1679 NH1 ARG A 106 4.029 5.998 -6.337 1.00 64.22 N ATOM 1680 NH2 ARG A 106 5.871 7.348 -6.155 1.00 74.02 N ATOM 0 H ARG A 106 2.988 4.173 -1.216 1.00 52.13 H new ATOM 0 HA ARG A 106 0.677 5.972 -1.716 1.00 74.12 H new ATOM 0 HB2 ARG A 106 2.819 5.127 -3.663 1.00 73.41 H new ATOM 0 HB3 ARG A 106 1.233 5.678 -4.167 1.00 73.41 H new ATOM 0 HG2 ARG A 106 1.773 7.772 -2.639 1.00 42.20 H new ATOM 0 HG3 ARG A 106 3.435 7.239 -2.807 1.00 42.20 H new ATOM 0 HD2 ARG A 106 1.923 7.367 -5.370 1.00 30.12 H new ATOM 0 HD3 ARG A 106 2.116 8.915 -4.571 1.00 30.12 H new ATOM 0 HE ARG A 106 4.394 8.896 -4.998 1.00 31.01 H new ATOM 0 HH11 ARG A 106 3.046 5.811 -6.136 1.00 64.22 H new ATOM 0 HH12 ARG A 106 4.577 5.326 -6.874 1.00 64.22 H new ATOM 0 HH21 ARG A 106 6.312 8.203 -5.815 1.00 74.02 H new ATOM 0 HH22 ARG A 106 6.414 6.672 -6.692 1.00 74.02 H new ATOM 1694 N VAL A 107 -0.656 4.022 -2.712 1.00 21.41 N ATOM 1695 CA VAL A 107 -1.591 2.924 -2.930 1.00 14.53 C ATOM 1696 C VAL A 107 -2.552 3.401 -4.027 1.00 74.01 C ATOM 1697 O VAL A 107 -2.857 4.597 -4.114 1.00 73.34 O ATOM 1698 CB VAL A 107 -2.359 2.613 -1.612 1.00 63.22 C ATOM 1699 CG1 VAL A 107 -3.364 1.452 -1.743 1.00 45.01 C ATOM 1700 CG2 VAL A 107 -1.445 2.261 -0.427 1.00 32.45 C ATOM 0 H VAL A 107 -1.069 4.930 -2.923 1.00 21.41 H new ATOM 0 HA VAL A 107 -1.083 2.007 -3.228 1.00 14.53 H new ATOM 0 HB VAL A 107 -2.881 3.550 -1.419 1.00 63.22 H new ATOM 0 HG11 VAL A 107 -3.862 1.292 -0.787 1.00 45.01 H new ATOM 0 HG12 VAL A 107 -4.107 1.698 -2.502 1.00 45.01 H new ATOM 0 HG13 VAL A 107 -2.835 0.544 -2.033 1.00 45.01 H new ATOM 0 HG21 VAL A 107 -2.054 2.057 0.454 1.00 32.45 H new ATOM 0 HG22 VAL A 107 -0.855 1.378 -0.672 1.00 32.45 H new ATOM 0 HG23 VAL A 107 -0.777 3.098 -0.221 1.00 32.45 H new ATOM 1710 N GLU A 108 -3.171 2.486 -4.774 1.00 70.02 N ATOM 1711 CA GLU A 108 -4.289 2.753 -5.688 1.00 45.44 C ATOM 1712 C GLU A 108 -5.331 1.649 -5.474 1.00 25.52 C ATOM 1713 O GLU A 108 -4.943 0.500 -5.247 1.00 23.11 O ATOM 1714 CB GLU A 108 -3.794 2.779 -7.139 1.00 32.42 C ATOM 1715 CG GLU A 108 -2.756 3.880 -7.383 1.00 4.51 C ATOM 1716 CD GLU A 108 -2.349 3.988 -8.846 1.00 23.41 C ATOM 1717 OE1 GLU A 108 -3.225 4.143 -9.729 1.00 64.43 O ATOM 1718 OE2 GLU A 108 -1.140 3.986 -9.150 1.00 4.54 O ATOM 0 H GLU A 108 -2.900 1.503 -4.761 1.00 70.02 H new ATOM 0 HA GLU A 108 -4.734 3.727 -5.485 1.00 45.44 H new ATOM 0 HB2 GLU A 108 -3.359 1.811 -7.389 1.00 32.42 H new ATOM 0 HB3 GLU A 108 -4.642 2.929 -7.807 1.00 32.42 H new ATOM 0 HG2 GLU A 108 -3.161 4.836 -7.051 1.00 4.51 H new ATOM 0 HG3 GLU A 108 -1.872 3.681 -6.778 1.00 4.51 H new ATOM 1725 N PHE A 109 -6.627 1.973 -5.492 1.00 34.12 N ATOM 1726 CA PHE A 109 -7.730 1.037 -5.293 1.00 73.13 C ATOM 1727 C PHE A 109 -8.667 1.093 -6.488 1.00 12.05 C ATOM 1728 O PHE A 109 -9.110 2.177 -6.869 1.00 43.40 O ATOM 1729 CB PHE A 109 -8.610 1.412 -4.088 1.00 71.30 C ATOM 1730 CG PHE A 109 -7.962 1.560 -2.737 1.00 23.23 C ATOM 1731 CD1 PHE A 109 -7.687 0.423 -1.965 1.00 51.42 C ATOM 1732 CD2 PHE A 109 -7.711 2.838 -2.213 1.00 32.43 C ATOM 1733 CE1 PHE A 109 -7.085 0.563 -0.705 1.00 10.43 C ATOM 1734 CE2 PHE A 109 -7.139 2.980 -0.939 1.00 21.54 C ATOM 1735 CZ PHE A 109 -6.805 1.841 -0.191 1.00 51.04 C ATOM 0 H PHE A 109 -6.945 2.929 -5.651 1.00 34.12 H new ATOM 0 HA PHE A 109 -7.271 0.060 -5.145 1.00 73.13 H new ATOM 0 HB2 PHE A 109 -9.106 2.354 -4.322 1.00 71.30 H new ATOM 0 HB3 PHE A 109 -9.389 0.655 -4.000 1.00 71.30 H new ATOM 0 HD1 PHE A 109 -7.938 -0.559 -2.339 1.00 51.42 H new ATOM 0 HD2 PHE A 109 -7.959 3.715 -2.792 1.00 32.43 H new ATOM 0 HE1 PHE A 109 -6.836 -0.315 -0.128 1.00 10.43 H new ATOM 0 HE2 PHE A 109 -6.956 3.965 -0.535 1.00 21.54 H new ATOM 0 HZ PHE A 109 -6.335 1.946 0.776 1.00 51.04 H new ATOM 1745 N GLU A 110 -9.132 -0.061 -6.951 1.00 54.13 N ATOM 1746 CA GLU A 110 -10.183 -0.126 -7.950 1.00 14.22 C ATOM 1747 C GLU A 110 -11.157 -1.247 -7.570 1.00 5.23 C ATOM 1748 O GLU A 110 -10.825 -2.181 -6.822 1.00 54.14 O ATOM 1749 CB GLU A 110 -9.570 -0.338 -9.339 1.00 71.01 C ATOM 1750 CG GLU A 110 -9.818 0.782 -10.351 1.00 44.50 C ATOM 1751 CD GLU A 110 -9.515 0.238 -11.747 1.00 53.42 C ATOM 1752 OE1 GLU A 110 -8.325 0.212 -12.144 1.00 71.33 O ATOM 1753 OE2 GLU A 110 -10.435 -0.313 -12.395 1.00 21.24 O ATOM 0 H GLU A 110 -8.791 -0.972 -6.644 1.00 54.13 H new ATOM 0 HA GLU A 110 -10.738 0.811 -7.984 1.00 14.22 H new ATOM 0 HB2 GLU A 110 -8.494 -0.468 -9.225 1.00 71.01 H new ATOM 0 HB3 GLU A 110 -9.962 -1.268 -9.751 1.00 71.01 H new ATOM 0 HG2 GLU A 110 -10.851 1.126 -10.293 1.00 44.50 H new ATOM 0 HG3 GLU A 110 -9.183 1.641 -10.131 1.00 44.50 H new ATOM 1760 N LEU A 111 -12.389 -1.148 -8.070 1.00 21.41 N ATOM 1761 CA LEU A 111 -13.327 -2.264 -8.040 1.00 71.53 C ATOM 1762 C LEU A 111 -13.018 -3.191 -9.228 1.00 25.21 C ATOM 1763 O LEU A 111 -12.149 -2.923 -10.060 1.00 65.22 O ATOM 1764 CB LEU A 111 -14.791 -1.758 -8.070 1.00 73.12 C ATOM 1765 CG LEU A 111 -15.677 -2.031 -6.826 1.00 44.02 C ATOM 1766 CD1 LEU A 111 -17.153 -2.167 -7.211 1.00 3.22 C ATOM 1767 CD2 LEU A 111 -15.339 -3.243 -5.955 1.00 25.54 C ATOM 0 H LEU A 111 -12.759 -0.301 -8.502 1.00 21.41 H new ATOM 0 HA LEU A 111 -13.212 -2.823 -7.112 1.00 71.53 H new ATOM 0 HB2 LEU A 111 -14.770 -0.681 -8.236 1.00 73.12 H new ATOM 0 HB3 LEU A 111 -15.282 -2.204 -8.935 1.00 73.12 H new ATOM 0 HG LEU A 111 -15.462 -1.150 -6.221 1.00 44.02 H new ATOM 0 HD11 LEU A 111 -17.746 -2.358 -6.317 1.00 3.22 H new ATOM 0 HD12 LEU A 111 -17.493 -1.244 -7.682 1.00 3.22 H new ATOM 0 HD13 LEU A 111 -17.272 -2.996 -7.909 1.00 3.22 H new ATOM 0 HD21 LEU A 111 -16.044 -3.303 -5.126 1.00 25.54 H new ATOM 0 HD22 LEU A 111 -15.405 -4.151 -6.554 1.00 25.54 H new ATOM 0 HD23 LEU A 111 -14.327 -3.139 -5.564 1.00 25.54 H new ATOM 1779 N GLN A 112 -13.685 -4.341 -9.245 1.00 74.20 N ATOM 1780 CA GLN A 112 -13.444 -5.433 -10.162 1.00 51.12 C ATOM 1781 C GLN A 112 -14.748 -5.992 -10.662 1.00 70.33 C ATOM 1782 O GLN A 112 -15.262 -5.607 -11.700 1.00 64.51 O ATOM 1783 CB GLN A 112 -12.692 -6.482 -9.364 1.00 52.34 C ATOM 1784 CG GLN A 112 -11.222 -6.122 -9.120 1.00 52.20 C ATOM 1785 CD GLN A 112 -10.334 -6.247 -10.360 1.00 53.34 C ATOM 1786 OE1 GLN A 112 -10.456 -7.207 -11.116 1.00 3.22 O ATOM 1787 NE2 GLN A 112 -9.372 -5.365 -10.553 1.00 3.54 N ATOM 0 H GLN A 112 -14.440 -4.539 -8.588 1.00 74.20 H new ATOM 0 HA GLN A 112 -12.877 -5.109 -11.034 1.00 51.12 H new ATOM 0 HB2 GLN A 112 -13.188 -6.622 -8.404 1.00 52.34 H new ATOM 0 HB3 GLN A 112 -12.743 -7.435 -9.891 1.00 52.34 H new ATOM 0 HG2 GLN A 112 -11.167 -5.099 -8.748 1.00 52.20 H new ATOM 0 HG3 GLN A 112 -10.826 -6.768 -8.336 1.00 52.20 H new ATOM 0 HE21 GLN A 112 -9.275 -4.569 -9.922 1.00 3.54 H new ATOM 0 HE22 GLN A 112 -8.725 -5.479 -11.333 1.00 3.54 H new ATOM 1796 N ALA A 113 -15.282 -6.908 -9.869 1.00 12.13 N ATOM 1797 CA ALA A 113 -16.327 -7.827 -10.225 1.00 64.54 C ATOM 1798 C ALA A 113 -17.594 -7.467 -9.489 1.00 33.35 C ATOM 1799 O ALA A 113 -18.478 -8.294 -9.258 1.00 63.20 O ATOM 1800 CB ALA A 113 -15.727 -9.204 -9.981 1.00 61.44 C ATOM 0 H ALA A 113 -14.972 -7.028 -8.905 1.00 12.13 H new ATOM 0 HA ALA A 113 -16.654 -7.796 -11.264 1.00 64.54 H new ATOM 0 HB1 ALA A 113 -16.462 -9.970 -10.229 1.00 61.44 H new ATOM 0 HB2 ALA A 113 -14.844 -9.332 -10.607 1.00 61.44 H new ATOM 0 HB3 ALA A 113 -15.445 -9.297 -8.932 1.00 61.44 H new ATOM 1806 N ASP A 114 -17.630 -6.189 -9.123 1.00 44.24 N ATOM 1807 CA ASP A 114 -18.775 -5.487 -8.588 1.00 45.33 C ATOM 1808 C ASP A 114 -19.235 -6.189 -7.326 1.00 11.14 C ATOM 1809 O ASP A 114 -20.409 -6.471 -7.080 1.00 23.45 O ATOM 1810 CB ASP A 114 -19.799 -5.235 -9.688 1.00 23.22 C ATOM 1811 CG ASP A 114 -19.603 -3.871 -10.343 1.00 64.14 C ATOM 1812 OD1 ASP A 114 -18.437 -3.439 -10.512 1.00 70.21 O ATOM 1813 OD2 ASP A 114 -20.611 -3.303 -10.802 1.00 43.04 O ATOM 0 H ASP A 114 -16.810 -5.588 -9.199 1.00 44.24 H new ATOM 0 HA ASP A 114 -18.538 -4.477 -8.254 1.00 45.33 H new ATOM 0 HB2 ASP A 114 -19.720 -6.016 -10.444 1.00 23.22 H new ATOM 0 HB3 ASP A 114 -20.804 -5.297 -9.270 1.00 23.22 H new ATOM 1818 N GLY A 115 -18.223 -6.534 -6.531 1.00 3.14 N ATOM 1819 CA GLY A 115 -18.465 -7.021 -5.187 1.00 73.21 C ATOM 1820 C GLY A 115 -17.254 -7.199 -4.285 1.00 71.52 C ATOM 1821 O GLY A 115 -17.456 -7.407 -3.092 1.00 62.14 O ATOM 0 H GLY A 115 -17.240 -6.484 -6.797 1.00 3.14 H new ATOM 0 HA2 GLY A 115 -19.153 -6.332 -4.697 1.00 73.21 H new ATOM 0 HA3 GLY A 115 -18.975 -7.982 -5.262 1.00 73.21 H new ATOM 1825 N LYS A 116 -16.010 -7.116 -4.772 1.00 63.51 N ATOM 1826 CA LYS A 116 -14.804 -7.152 -3.938 1.00 11.05 C ATOM 1827 C LYS A 116 -13.840 -6.099 -4.478 1.00 33.14 C ATOM 1828 O LYS A 116 -13.710 -5.963 -5.698 1.00 13.15 O ATOM 1829 CB LYS A 116 -14.151 -8.546 -4.015 1.00 71.24 C ATOM 1830 CG LYS A 116 -14.819 -9.602 -3.120 1.00 30.41 C ATOM 1831 CD LYS A 116 -14.662 -11.040 -3.640 1.00 63.32 C ATOM 1832 CE LYS A 116 -13.204 -11.435 -3.916 1.00 42.20 C ATOM 1833 NZ LYS A 116 -13.097 -12.742 -4.598 1.00 24.43 N ATOM 0 H LYS A 116 -15.811 -7.021 -5.768 1.00 63.51 H new ATOM 0 HA LYS A 116 -15.054 -6.949 -2.897 1.00 11.05 H new ATOM 0 HB2 LYS A 116 -14.178 -8.891 -5.048 1.00 71.24 H new ATOM 0 HB3 LYS A 116 -13.101 -8.460 -3.735 1.00 71.24 H new ATOM 0 HG2 LYS A 116 -14.394 -9.539 -2.118 1.00 30.41 H new ATOM 0 HG3 LYS A 116 -15.880 -9.371 -3.031 1.00 30.41 H new ATOM 0 HD2 LYS A 116 -15.085 -11.730 -2.910 1.00 63.32 H new ATOM 0 HD3 LYS A 116 -15.240 -11.152 -4.557 1.00 63.32 H new ATOM 0 HE2 LYS A 116 -12.732 -10.668 -4.530 1.00 42.20 H new ATOM 0 HE3 LYS A 116 -12.656 -11.473 -2.975 1.00 42.20 H new ATOM 0 HZ1 LYS A 116 -12.095 -12.966 -4.763 1.00 24.43 H new ATOM 0 HZ2 LYS A 116 -13.523 -13.480 -4.002 1.00 24.43 H new ATOM 0 HZ3 LYS A 116 -13.597 -12.700 -5.509 1.00 24.43 H new ATOM 1847 N TRP A 117 -13.207 -5.369 -3.569 1.00 22.51 N ATOM 1848 CA TRP A 117 -12.219 -4.335 -3.829 1.00 31.41 C ATOM 1849 C TRP A 117 -10.839 -4.954 -3.944 1.00 4.25 C ATOM 1850 O TRP A 117 -10.546 -5.941 -3.261 1.00 71.10 O ATOM 1851 CB TRP A 117 -12.236 -3.343 -2.665 1.00 53.31 C ATOM 1852 CG TRP A 117 -13.317 -2.322 -2.763 1.00 71.53 C ATOM 1853 CD1 TRP A 117 -14.511 -2.317 -2.126 1.00 61.50 C ATOM 1854 CD2 TRP A 117 -13.298 -1.129 -3.592 1.00 3.24 C ATOM 1855 NE1 TRP A 117 -15.239 -1.216 -2.530 1.00 52.20 N ATOM 1856 CE2 TRP A 117 -14.528 -0.435 -3.419 1.00 72.24 C ATOM 1857 CE3 TRP A 117 -12.351 -0.570 -4.475 1.00 72.54 C ATOM 1858 CZ2 TRP A 117 -14.802 0.759 -4.100 1.00 41.24 C ATOM 1859 CZ3 TRP A 117 -12.605 0.636 -5.149 1.00 11.42 C ATOM 1860 CH2 TRP A 117 -13.824 1.301 -4.954 1.00 54.42 C ATOM 0 H TRP A 117 -13.381 -5.492 -2.572 1.00 22.51 H new ATOM 0 HA TRP A 117 -12.456 -3.826 -4.763 1.00 31.41 H new ATOM 0 HB2 TRP A 117 -12.352 -3.894 -1.732 1.00 53.31 H new ATOM 0 HB3 TRP A 117 -11.272 -2.836 -2.618 1.00 53.31 H new ATOM 0 HD1 TRP A 117 -14.842 -3.058 -1.414 1.00 61.50 H new ATOM 0 HE1 TRP A 117 -16.185 -1.006 -2.211 1.00 52.20 H new ATOM 0 HE3 TRP A 117 -11.412 -1.079 -4.636 1.00 72.54 H new ATOM 0 HZ2 TRP A 117 -15.752 1.257 -3.971 1.00 41.24 H new ATOM 0 HZ3 TRP A 117 -11.863 1.050 -5.816 1.00 11.42 H new ATOM 0 HH2 TRP A 117 -14.013 2.235 -5.462 1.00 54.42 H new ATOM 1871 N TYR A 118 -9.994 -4.342 -4.774 1.00 25.22 N ATOM 1872 CA TYR A 118 -8.622 -4.758 -4.996 1.00 10.33 C ATOM 1873 C TYR A 118 -7.742 -3.505 -5.010 1.00 14.03 C ATOM 1874 O TYR A 118 -8.195 -2.437 -5.429 1.00 25.35 O ATOM 1875 CB TYR A 118 -8.549 -5.577 -6.295 1.00 11.03 C ATOM 1876 CG TYR A 118 -9.019 -7.009 -6.090 1.00 41.41 C ATOM 1877 CD1 TYR A 118 -10.395 -7.298 -6.033 1.00 50.22 C ATOM 1878 CD2 TYR A 118 -8.092 -8.042 -5.860 1.00 71.41 C ATOM 1879 CE1 TYR A 118 -10.858 -8.586 -5.731 1.00 41.31 C ATOM 1880 CE2 TYR A 118 -8.540 -9.332 -5.518 1.00 44.04 C ATOM 1881 CZ TYR A 118 -9.925 -9.598 -5.421 1.00 52.00 C ATOM 1882 OH TYR A 118 -10.362 -10.820 -5.018 1.00 21.33 O ATOM 0 H TYR A 118 -10.258 -3.523 -5.321 1.00 25.22 H new ATOM 0 HA TYR A 118 -8.255 -5.407 -4.201 1.00 10.33 H new ATOM 0 HB2 TYR A 118 -9.162 -5.100 -7.060 1.00 11.03 H new ATOM 0 HB3 TYR A 118 -7.524 -5.581 -6.665 1.00 11.03 H new ATOM 0 HD1 TYR A 118 -11.109 -6.511 -6.226 1.00 50.22 H new ATOM 0 HD2 TYR A 118 -7.034 -7.845 -5.946 1.00 71.41 H new ATOM 0 HE1 TYR A 118 -11.916 -8.801 -5.736 1.00 41.31 H new ATOM 0 HE2 TYR A 118 -7.825 -10.119 -5.330 1.00 44.04 H new ATOM 0 HH TYR A 118 -9.934 -11.057 -4.169 1.00 21.33 H new ATOM 1892 N VAL A 119 -6.507 -3.595 -4.499 1.00 33.15 N ATOM 1893 CA VAL A 119 -5.519 -2.539 -4.755 1.00 51.00 C ATOM 1894 C VAL A 119 -4.837 -2.867 -6.092 1.00 24.11 C ATOM 1895 O VAL A 119 -4.952 -4.004 -6.574 1.00 12.42 O ATOM 1896 CB VAL A 119 -4.534 -2.300 -3.575 1.00 5.44 C ATOM 1897 CG1 VAL A 119 -5.245 -2.269 -2.218 1.00 43.30 C ATOM 1898 CG2 VAL A 119 -3.355 -3.256 -3.447 1.00 62.12 C ATOM 0 H VAL A 119 -6.174 -4.366 -3.921 1.00 33.15 H new ATOM 0 HA VAL A 119 -6.020 -1.574 -4.833 1.00 51.00 H new ATOM 0 HB VAL A 119 -4.121 -1.328 -3.845 1.00 5.44 H new ATOM 0 HG11 VAL A 119 -4.514 -2.099 -1.428 1.00 43.30 H new ATOM 0 HG12 VAL A 119 -5.980 -1.464 -2.211 1.00 43.30 H new ATOM 0 HG13 VAL A 119 -5.748 -3.221 -2.049 1.00 43.30 H new ATOM 0 HG21 VAL A 119 -2.751 -2.975 -2.584 1.00 62.12 H new ATOM 0 HG22 VAL A 119 -3.724 -4.273 -3.316 1.00 62.12 H new ATOM 0 HG23 VAL A 119 -2.745 -3.205 -4.349 1.00 62.12 H new ATOM 1908 N VAL A 120 -4.090 -1.927 -6.670 1.00 1.55 N ATOM 1909 CA VAL A 120 -3.217 -2.141 -7.835 1.00 34.05 C ATOM 1910 C VAL A 120 -1.846 -1.480 -7.612 1.00 50.30 C ATOM 1911 O VAL A 120 -1.063 -1.347 -8.549 1.00 74.00 O ATOM 1912 CB VAL A 120 -3.911 -1.702 -9.145 1.00 50.42 C ATOM 1913 CG1 VAL A 120 -5.219 -2.474 -9.376 1.00 45.11 C ATOM 1914 CG2 VAL A 120 -4.238 -0.207 -9.193 1.00 10.53 C ATOM 0 H VAL A 120 -4.072 -0.964 -6.334 1.00 1.55 H new ATOM 0 HA VAL A 120 -3.029 -3.209 -7.946 1.00 34.05 H new ATOM 0 HB VAL A 120 -3.186 -1.925 -9.928 1.00 50.42 H new ATOM 0 HG11 VAL A 120 -5.680 -2.140 -10.306 1.00 45.11 H new ATOM 0 HG12 VAL A 120 -5.005 -3.541 -9.440 1.00 45.11 H new ATOM 0 HG13 VAL A 120 -5.901 -2.290 -8.546 1.00 45.11 H new ATOM 0 HG21 VAL A 120 -4.723 0.029 -10.140 1.00 10.53 H new ATOM 0 HG22 VAL A 120 -4.906 0.046 -8.370 1.00 10.53 H new ATOM 0 HG23 VAL A 120 -3.318 0.370 -9.103 1.00 10.53 H new ATOM 1924 N ASP A 121 -1.541 -1.073 -6.374 1.00 51.22 N ATOM 1925 CA ASP A 121 -0.320 -0.371 -5.992 1.00 13.24 C ATOM 1926 C ASP A 121 -0.176 -0.423 -4.467 1.00 62.33 C ATOM 1927 O ASP A 121 -1.192 -0.458 -3.767 1.00 70.10 O ATOM 1928 CB ASP A 121 -0.363 1.090 -6.496 1.00 12.41 C ATOM 1929 CG ASP A 121 0.915 1.499 -7.228 1.00 1.15 C ATOM 1930 OD1 ASP A 121 1.644 0.614 -7.727 1.00 52.52 O ATOM 1931 OD2 ASP A 121 1.302 2.687 -7.200 1.00 4.25 O ATOM 0 H ASP A 121 -2.166 -1.232 -5.583 1.00 51.22 H new ATOM 0 HA ASP A 121 0.544 -0.853 -6.449 1.00 13.24 H new ATOM 0 HB2 ASP A 121 -1.215 1.215 -7.164 1.00 12.41 H new ATOM 0 HB3 ASP A 121 -0.521 1.758 -5.649 1.00 12.41 H new ATOM 1936 N CYS A 122 1.063 -0.445 -3.965 1.00 64.24 N ATOM 1937 CA CYS A 122 1.490 -0.426 -2.571 1.00 21.33 C ATOM 1938 C CYS A 122 3.006 -0.104 -2.522 1.00 14.51 C ATOM 1939 O CYS A 122 3.840 -1.016 -2.474 1.00 13.41 O ATOM 1940 CB CYS A 122 1.153 -1.794 -1.949 1.00 53.52 C ATOM 1941 SG CYS A 122 1.119 -1.690 -0.140 1.00 21.41 S ATOM 0 H CYS A 122 1.868 -0.480 -4.591 1.00 64.24 H new ATOM 0 HA CYS A 122 0.974 0.342 -1.995 1.00 21.33 H new ATOM 0 HB2 CYS A 122 0.185 -2.137 -2.316 1.00 53.52 H new ATOM 0 HB3 CYS A 122 1.892 -2.532 -2.261 1.00 53.52 H new ATOM 0 HG CYS A 122 0.557 -2.757 0.345 1.00 21.41 H new ATOM 1947 N TYR A 123 3.386 1.173 -2.608 1.00 41.40 N ATOM 1948 CA TYR A 123 4.765 1.648 -2.446 1.00 62.04 C ATOM 1949 C TYR A 123 5.025 1.914 -0.968 1.00 31.33 C ATOM 1950 O TYR A 123 4.092 2.275 -0.247 1.00 43.41 O ATOM 1951 CB TYR A 123 4.984 2.943 -3.245 1.00 72.34 C ATOM 1952 CG TYR A 123 6.299 3.645 -2.963 1.00 24.02 C ATOM 1953 CD1 TYR A 123 7.499 3.104 -3.458 1.00 74.32 C ATOM 1954 CD2 TYR A 123 6.335 4.796 -2.150 1.00 45.54 C ATOM 1955 CE1 TYR A 123 8.731 3.694 -3.137 1.00 63.01 C ATOM 1956 CE2 TYR A 123 7.560 5.412 -1.849 1.00 44.41 C ATOM 1957 CZ TYR A 123 8.764 4.858 -2.340 1.00 45.11 C ATOM 1958 OH TYR A 123 9.955 5.454 -2.070 1.00 63.34 O ATOM 0 H TYR A 123 2.726 1.927 -2.797 1.00 41.40 H new ATOM 0 HA TYR A 123 5.452 0.888 -2.818 1.00 62.04 H new ATOM 0 HB2 TYR A 123 4.932 2.711 -4.309 1.00 72.34 H new ATOM 0 HB3 TYR A 123 4.166 3.631 -3.028 1.00 72.34 H new ATOM 0 HD1 TYR A 123 7.472 2.228 -4.090 1.00 74.32 H new ATOM 0 HD2 TYR A 123 5.416 5.206 -1.757 1.00 45.54 H new ATOM 0 HE1 TYR A 123 9.651 3.259 -3.499 1.00 63.01 H new ATOM 0 HE2 TYR A 123 7.582 6.306 -1.244 1.00 44.41 H new ATOM 0 HH TYR A 123 10.506 5.466 -2.880 1.00 63.34 H new ATOM 1968 N THR A 124 6.277 1.794 -0.531 1.00 5.22 N ATOM 1969 CA THR A 124 6.701 2.073 0.827 1.00 23.34 C ATOM 1970 C THR A 124 8.148 2.561 0.850 1.00 73.42 C ATOM 1971 O THR A 124 8.961 2.194 -0.004 1.00 51.22 O ATOM 1972 CB THR A 124 6.490 0.808 1.674 1.00 61.22 C ATOM 1973 OG1 THR A 124 7.040 0.939 2.959 1.00 50.14 O ATOM 1974 CG2 THR A 124 7.056 -0.489 1.086 1.00 2.22 C ATOM 0 H THR A 124 7.042 1.491 -1.134 1.00 5.22 H new ATOM 0 HA THR A 124 6.103 2.877 1.255 1.00 23.34 H new ATOM 0 HB THR A 124 5.404 0.723 1.698 1.00 61.22 H new ATOM 0 HG1 THR A 124 6.749 0.188 3.517 1.00 50.14 H new ATOM 0 HG21 THR A 124 6.851 -1.316 1.765 1.00 2.22 H new ATOM 0 HG22 THR A 124 6.587 -0.686 0.122 1.00 2.22 H new ATOM 0 HG23 THR A 124 8.133 -0.388 0.952 1.00 2.22 H new ATOM 1982 N GLY A 125 8.492 3.317 1.892 1.00 14.33 N ATOM 1983 CA GLY A 125 9.857 3.666 2.223 1.00 13.51 C ATOM 1984 C GLY A 125 10.671 2.467 2.720 1.00 43.52 C ATOM 1985 O GLY A 125 11.892 2.600 2.820 1.00 34.33 O ATOM 0 H GLY A 125 7.808 3.709 2.539 1.00 14.33 H new ATOM 0 HA2 GLY A 125 10.342 4.090 1.344 1.00 13.51 H new ATOM 0 HA3 GLY A 125 9.854 4.440 2.990 1.00 13.51 H new ATOM 1989 N TRP A 126 10.051 1.312 3.015 1.00 53.43 N ATOM 1990 CA TRP A 126 10.758 0.059 3.282 1.00 61.34 C ATOM 1991 C TRP A 126 11.628 -0.276 2.071 1.00 3.51 C ATOM 1992 O TRP A 126 12.856 -0.251 2.152 1.00 50.12 O ATOM 1993 CB TRP A 126 9.782 -1.100 3.569 1.00 3.14 C ATOM 1994 CG TRP A 126 9.661 -1.535 4.990 1.00 72.44 C ATOM 1995 CD1 TRP A 126 8.514 -1.877 5.614 1.00 74.13 C ATOM 1996 CD2 TRP A 126 10.731 -1.810 5.937 1.00 3.24 C ATOM 1997 NE1 TRP A 126 8.800 -2.352 6.878 1.00 45.12 N ATOM 1998 CE2 TRP A 126 10.159 -2.355 7.122 1.00 32.22 C ATOM 1999 CE3 TRP A 126 12.135 -1.697 5.890 1.00 51.42 C ATOM 2000 CZ2 TRP A 126 10.949 -2.793 8.193 1.00 22.23 C ATOM 2001 CZ3 TRP A 126 12.928 -2.052 6.989 1.00 72.43 C ATOM 2002 CH2 TRP A 126 12.342 -2.617 8.137 1.00 50.14 C ATOM 0 H TRP A 126 9.036 1.227 3.074 1.00 53.43 H new ATOM 0 HA TRP A 126 11.375 0.188 4.172 1.00 61.34 H new ATOM 0 HB2 TRP A 126 8.793 -0.807 3.217 1.00 3.14 H new ATOM 0 HB3 TRP A 126 10.090 -1.960 2.975 1.00 3.14 H new ATOM 0 HD1 TRP A 126 7.525 -1.792 5.189 1.00 74.13 H new ATOM 0 HE1 TRP A 126 8.096 -2.662 7.548 1.00 45.12 H new ATOM 0 HE3 TRP A 126 12.608 -1.330 4.991 1.00 51.42 H new ATOM 0 HZ2 TRP A 126 10.492 -3.261 9.053 1.00 22.23 H new ATOM 0 HZ3 TRP A 126 13.995 -1.891 6.955 1.00 72.43 H new ATOM 0 HH2 TRP A 126 12.960 -2.914 8.971 1.00 50.14 H new ATOM 2013 N TYR A 127 10.987 -0.577 0.939 1.00 61.12 N ATOM 2014 CA TYR A 127 11.641 -0.868 -0.325 1.00 64.00 C ATOM 2015 C TYR A 127 11.672 0.435 -1.125 1.00 25.23 C ATOM 2016 O TYR A 127 10.928 0.609 -2.100 1.00 45.51 O ATOM 2017 CB TYR A 127 10.918 -2.001 -1.061 1.00 34.13 C ATOM 2018 CG TYR A 127 10.804 -3.323 -0.327 1.00 10.21 C ATOM 2019 CD1 TYR A 127 11.890 -4.224 -0.295 1.00 50.40 C ATOM 2020 CD2 TYR A 127 9.596 -3.649 0.316 1.00 11.12 C ATOM 2021 CE1 TYR A 127 11.770 -5.445 0.396 1.00 64.03 C ATOM 2022 CE2 TYR A 127 9.483 -4.851 1.027 1.00 25.03 C ATOM 2023 CZ TYR A 127 10.573 -5.740 1.081 1.00 72.02 C ATOM 2024 OH TYR A 127 10.485 -6.861 1.839 1.00 51.13 O ATOM 0 H TYR A 127 9.970 -0.625 0.882 1.00 61.12 H new ATOM 0 HA TYR A 127 12.661 -1.222 -0.174 1.00 64.00 H new ATOM 0 HB2 TYR A 127 9.912 -1.660 -1.307 1.00 34.13 H new ATOM 0 HB3 TYR A 127 11.434 -2.178 -2.004 1.00 34.13 H new ATOM 0 HD1 TYR A 127 12.812 -3.977 -0.800 1.00 50.40 H new ATOM 0 HD2 TYR A 127 8.756 -2.973 0.262 1.00 11.12 H new ATOM 0 HE1 TYR A 127 12.588 -6.150 0.401 1.00 64.03 H new ATOM 0 HE2 TYR A 127 8.561 -5.095 1.533 1.00 25.03 H new ATOM 0 HH TYR A 127 9.545 -7.043 2.046 1.00 51.13 H new ATOM 2034 N GLY A 128 12.511 1.357 -0.656 1.00 62.21 N ATOM 2035 CA GLY A 128 12.685 2.694 -1.179 1.00 21.44 C ATOM 2036 C GLY A 128 14.029 2.817 -1.883 1.00 61.41 C ATOM 2037 O GLY A 128 14.695 1.835 -2.218 1.00 24.23 O ATOM 0 H GLY A 128 13.117 1.172 0.143 1.00 62.21 H new ATOM 0 HA2 GLY A 128 11.880 2.927 -1.876 1.00 21.44 H new ATOM 0 HA3 GLY A 128 12.624 3.420 -0.368 1.00 21.44 H new ATOM 2041 N TYR A 129 14.414 4.056 -2.149 1.00 44.24 N ATOM 2042 CA TYR A 129 15.448 4.421 -3.109 1.00 31.03 C ATOM 2043 C TYR A 129 16.867 4.402 -2.509 1.00 44.50 C ATOM 2044 O TYR A 129 17.789 5.002 -3.062 1.00 21.04 O ATOM 2045 CB TYR A 129 15.058 5.783 -3.682 1.00 63.00 C ATOM 2046 CG TYR A 129 13.957 5.667 -4.727 1.00 31.31 C ATOM 2047 CD1 TYR A 129 12.634 5.373 -4.346 1.00 53.14 C ATOM 2048 CD2 TYR A 129 14.273 5.755 -6.093 1.00 25.43 C ATOM 2049 CE1 TYR A 129 11.640 5.139 -5.311 1.00 72.43 C ATOM 2050 CE2 TYR A 129 13.286 5.516 -7.067 1.00 70.22 C ATOM 2051 CZ TYR A 129 11.965 5.193 -6.681 1.00 33.23 C ATOM 2052 OH TYR A 129 11.008 4.921 -7.608 1.00 44.11 O ATOM 0 H TYR A 129 14.001 4.865 -1.686 1.00 44.24 H new ATOM 0 HA TYR A 129 15.500 3.678 -3.905 1.00 31.03 H new ATOM 0 HB2 TYR A 129 14.724 6.434 -2.874 1.00 63.00 H new ATOM 0 HB3 TYR A 129 15.934 6.253 -4.129 1.00 63.00 H new ATOM 0 HD1 TYR A 129 12.380 5.327 -3.297 1.00 53.14 H new ATOM 0 HD2 TYR A 129 15.278 6.007 -6.397 1.00 25.43 H new ATOM 0 HE1 TYR A 129 10.629 4.918 -5.003 1.00 72.43 H new ATOM 0 HE2 TYR A 129 13.539 5.580 -8.115 1.00 70.22 H new ATOM 0 HH TYR A 129 11.391 5.002 -8.507 1.00 44.11 H new ATOM 2062 N ASP A 130 17.037 3.754 -1.358 1.00 30.11 N ATOM 2063 CA ASP A 130 18.136 4.010 -0.423 1.00 12.53 C ATOM 2064 C ASP A 130 19.185 2.896 -0.429 1.00 32.23 C ATOM 2065 O ASP A 130 20.364 3.149 -0.160 1.00 23.13 O ATOM 2066 CB ASP A 130 17.568 4.216 0.990 1.00 14.51 C ATOM 2067 CG ASP A 130 18.649 4.646 1.981 1.00 23.25 C ATOM 2068 OD1 ASP A 130 19.482 5.510 1.638 1.00 74.01 O ATOM 2069 OD2 ASP A 130 18.654 4.148 3.133 1.00 10.55 O ATOM 0 H ASP A 130 16.403 3.021 -1.041 1.00 30.11 H new ATOM 0 HA ASP A 130 18.647 4.915 -0.750 1.00 12.53 H new ATOM 0 HB2 ASP A 130 16.783 4.971 0.959 1.00 14.51 H new ATOM 0 HB3 ASP A 130 17.107 3.290 1.335 1.00 14.51 H new ATOM 2074 N LEU A 131 18.790 1.678 -0.813 1.00 14.42 N ATOM 2075 CA LEU A 131 19.639 0.487 -0.834 1.00 34.31 C ATOM 2076 C LEU A 131 19.808 -0.026 -2.275 1.00 33.41 C ATOM 2077 O LEU A 131 18.961 0.281 -3.121 1.00 62.24 O ATOM 2078 CB LEU A 131 19.011 -0.593 0.069 1.00 1.55 C ATOM 2079 CG LEU A 131 19.486 -0.578 1.539 1.00 31.41 C ATOM 2080 CD1 LEU A 131 18.744 -1.670 2.319 1.00 71.44 C ATOM 2081 CD2 LEU A 131 20.995 -0.810 1.716 1.00 71.01 C ATOM 0 H LEU A 131 17.838 1.490 -1.128 1.00 14.42 H new ATOM 0 HA LEU A 131 20.630 0.735 -0.454 1.00 34.31 H new ATOM 0 HB2 LEU A 131 17.928 -0.473 0.053 1.00 1.55 H new ATOM 0 HB3 LEU A 131 19.230 -1.572 -0.357 1.00 1.55 H new ATOM 0 HG LEU A 131 19.268 0.422 1.914 1.00 31.41 H new ATOM 0 HD11 LEU A 131 19.075 -1.664 3.357 1.00 71.44 H new ATOM 0 HD12 LEU A 131 17.671 -1.481 2.279 1.00 71.44 H new ATOM 0 HD13 LEU A 131 18.957 -2.643 1.876 1.00 71.44 H new ATOM 0 HD21 LEU A 131 21.245 -0.784 2.777 1.00 71.01 H new ATOM 0 HD22 LEU A 131 21.265 -1.782 1.303 1.00 71.01 H new ATOM 0 HD23 LEU A 131 21.547 -0.028 1.194 1.00 71.01 H new ATOM 2093 N PRO A 132 20.902 -0.743 -2.600 1.00 11.34 N ATOM 2094 CA PRO A 132 21.177 -1.237 -3.947 1.00 63.01 C ATOM 2095 C PRO A 132 20.527 -2.594 -4.257 1.00 34.04 C ATOM 2096 O PRO A 132 20.018 -3.293 -3.380 1.00 5.51 O ATOM 2097 CB PRO A 132 22.703 -1.359 -4.011 1.00 3.53 C ATOM 2098 CG PRO A 132 23.088 -1.716 -2.579 1.00 53.32 C ATOM 2099 CD PRO A 132 22.079 -0.918 -1.757 1.00 34.43 C ATOM 0 HA PRO A 132 20.758 -0.556 -4.687 1.00 63.01 H new ATOM 0 HB2 PRO A 132 23.016 -2.130 -4.715 1.00 3.53 H new ATOM 0 HB3 PRO A 132 23.168 -0.427 -4.332 1.00 3.53 H new ATOM 0 HG2 PRO A 132 23.007 -2.787 -2.392 1.00 53.32 H new ATOM 0 HG3 PRO A 132 24.115 -1.429 -2.351 1.00 53.32 H new ATOM 0 HD2 PRO A 132 21.823 -1.446 -0.839 1.00 34.43 H new ATOM 0 HD3 PRO A 132 22.494 0.047 -1.465 1.00 34.43 H new ATOM 2107 N ILE A 133 20.617 -2.999 -5.527 1.00 11.54 N ATOM 2108 CA ILE A 133 19.985 -4.171 -6.123 1.00 1.43 C ATOM 2109 C ILE A 133 20.308 -5.498 -5.431 1.00 33.24 C ATOM 2110 O ILE A 133 19.464 -6.403 -5.426 1.00 52.53 O ATOM 2111 CB ILE A 133 20.256 -4.182 -7.643 1.00 2.32 C ATOM 2112 CG1 ILE A 133 19.418 -5.269 -8.329 1.00 74.43 C ATOM 2113 CG2 ILE A 133 21.740 -4.333 -7.994 1.00 72.24 C ATOM 2114 CD1 ILE A 133 19.253 -5.057 -9.841 1.00 45.22 C ATOM 0 H ILE A 133 21.171 -2.480 -6.208 1.00 11.54 H new ATOM 0 HA ILE A 133 18.911 -4.079 -5.961 1.00 1.43 H new ATOM 0 HB ILE A 133 19.954 -3.205 -8.020 1.00 2.32 H new ATOM 0 HG12 ILE A 133 19.884 -6.239 -8.156 1.00 74.43 H new ATOM 0 HG13 ILE A 133 18.432 -5.302 -7.866 1.00 74.43 H new ATOM 0 HG21 ILE A 133 21.859 -4.333 -9.077 1.00 72.24 H new ATOM 0 HG22 ILE A 133 22.301 -3.502 -7.567 1.00 72.24 H new ATOM 0 HG23 ILE A 133 22.116 -5.272 -7.587 1.00 72.24 H new ATOM 0 HD11 ILE A 133 18.650 -5.863 -10.258 1.00 45.22 H new ATOM 0 HD12 ILE A 133 18.759 -4.103 -10.023 1.00 45.22 H new ATOM 0 HD13 ILE A 133 20.234 -5.054 -10.317 1.00 45.22 H new ATOM 2126 N GLY A 134 21.497 -5.646 -4.850 1.00 70.01 N ATOM 2127 CA GLY A 134 21.863 -6.868 -4.142 1.00 43.10 C ATOM 2128 C GLY A 134 21.209 -6.907 -2.766 1.00 45.41 C ATOM 2129 O GLY A 134 20.697 -7.955 -2.357 1.00 53.34 O ATOM 0 H GLY A 134 22.225 -4.931 -4.857 1.00 70.01 H new ATOM 0 HA2 GLY A 134 21.554 -7.737 -4.722 1.00 43.10 H new ATOM 0 HA3 GLY A 134 22.947 -6.923 -4.037 1.00 43.10 H new ATOM 2133 N GLU A 135 21.146 -5.759 -2.089 1.00 25.33 N ATOM 2134 CA GLU A 135 20.598 -5.637 -0.749 1.00 31.45 C ATOM 2135 C GLU A 135 19.072 -5.692 -0.729 1.00 5.34 C ATOM 2136 O GLU A 135 18.475 -5.694 0.338 1.00 54.50 O ATOM 2137 CB GLU A 135 21.179 -4.404 -0.062 1.00 30.04 C ATOM 2138 CG GLU A 135 22.658 -4.617 0.302 1.00 4.55 C ATOM 2139 CD GLU A 135 22.896 -5.661 1.407 1.00 65.13 C ATOM 2140 OE1 GLU A 135 22.762 -6.880 1.143 1.00 53.42 O ATOM 2141 OE2 GLU A 135 23.265 -5.282 2.538 1.00 4.13 O ATOM 0 H GLU A 135 21.483 -4.875 -2.470 1.00 25.33 H new ATOM 0 HA GLU A 135 20.903 -6.507 -0.168 1.00 31.45 H new ATOM 0 HB2 GLU A 135 21.084 -3.539 -0.719 1.00 30.04 H new ATOM 0 HB3 GLU A 135 20.608 -4.183 0.840 1.00 30.04 H new ATOM 0 HG2 GLU A 135 23.200 -4.923 -0.593 1.00 4.55 H new ATOM 0 HG3 GLU A 135 23.082 -3.665 0.621 1.00 4.55 H new ATOM 2148 N LEU A 136 18.424 -5.897 -1.879 1.00 64.44 N ATOM 2149 CA LEU A 136 17.043 -6.359 -1.944 1.00 44.53 C ATOM 2150 C LEU A 136 16.790 -7.508 -0.961 1.00 64.20 C ATOM 2151 O LEU A 136 15.806 -7.528 -0.234 1.00 44.22 O ATOM 2152 CB LEU A 136 16.744 -6.826 -3.372 1.00 4.43 C ATOM 2153 CG LEU A 136 15.338 -7.442 -3.520 1.00 45.13 C ATOM 2154 CD1 LEU A 136 14.225 -6.510 -3.032 1.00 5.44 C ATOM 2155 CD2 LEU A 136 15.083 -7.796 -4.980 1.00 70.43 C ATOM 0 H LEU A 136 18.849 -5.745 -2.794 1.00 64.44 H new ATOM 0 HA LEU A 136 16.386 -5.534 -1.668 1.00 44.53 H new ATOM 0 HB2 LEU A 136 16.838 -5.980 -4.053 1.00 4.43 H new ATOM 0 HB3 LEU A 136 17.491 -7.561 -3.672 1.00 4.43 H new ATOM 0 HG LEU A 136 15.318 -8.335 -2.895 1.00 45.13 H new ATOM 0 HD11 LEU A 136 13.259 -6.998 -3.161 1.00 5.44 H new ATOM 0 HD12 LEU A 136 14.378 -6.282 -1.977 1.00 5.44 H new ATOM 0 HD13 LEU A 136 14.245 -5.586 -3.610 1.00 5.44 H new ATOM 0 HD21 LEU A 136 14.089 -8.231 -5.081 1.00 70.43 H new ATOM 0 HD22 LEU A 136 15.148 -6.895 -5.590 1.00 70.43 H new ATOM 0 HD23 LEU A 136 15.830 -8.516 -5.316 1.00 70.43 H new ATOM 2167 N LYS A 137 17.695 -8.497 -0.962 1.00 1.54 N ATOM 2168 CA LYS A 137 17.665 -9.608 -0.011 1.00 61.44 C ATOM 2169 C LYS A 137 17.579 -9.099 1.426 1.00 64.44 C ATOM 2170 O LYS A 137 16.678 -9.526 2.149 1.00 3.12 O ATOM 2171 CB LYS A 137 18.895 -10.512 -0.202 1.00 41.33 C ATOM 2172 CG LYS A 137 18.706 -11.652 -1.216 1.00 61.33 C ATOM 2173 CD LYS A 137 17.981 -12.880 -0.633 1.00 44.41 C ATOM 2174 CE LYS A 137 16.459 -12.842 -0.817 1.00 43.31 C ATOM 2175 NZ LYS A 137 16.048 -13.327 -2.148 1.00 62.21 N ATOM 0 H LYS A 137 18.468 -8.546 -1.625 1.00 1.54 H new ATOM 0 HA LYS A 137 16.771 -10.200 -0.206 1.00 61.44 H new ATOM 0 HB2 LYS A 137 19.735 -9.896 -0.522 1.00 41.33 H new ATOM 0 HB3 LYS A 137 19.165 -10.943 0.762 1.00 41.33 H new ATOM 0 HG2 LYS A 137 18.141 -11.278 -2.070 1.00 61.33 H new ATOM 0 HG3 LYS A 137 19.682 -11.960 -1.590 1.00 61.33 H new ATOM 0 HD2 LYS A 137 18.373 -13.781 -1.106 1.00 44.41 H new ATOM 0 HD3 LYS A 137 18.208 -12.954 0.431 1.00 44.41 H new ATOM 0 HE2 LYS A 137 15.986 -13.452 -0.048 1.00 43.31 H new ATOM 0 HE3 LYS A 137 16.103 -11.821 -0.678 1.00 43.31 H new ATOM 0 HZ1 LYS A 137 15.012 -13.284 -2.229 1.00 62.21 H new ATOM 0 HZ2 LYS A 137 16.478 -12.730 -2.883 1.00 62.21 H new ATOM 0 HZ3 LYS A 137 16.364 -14.310 -2.272 1.00 62.21 H new ATOM 2189 N GLN A 138 18.475 -8.193 1.818 1.00 61.33 N ATOM 2190 CA GLN A 138 18.505 -7.599 3.146 1.00 65.12 C ATOM 2191 C GLN A 138 17.136 -7.008 3.505 1.00 41.10 C ATOM 2192 O GLN A 138 16.605 -7.322 4.574 1.00 41.12 O ATOM 2193 CB GLN A 138 19.651 -6.572 3.231 1.00 11.53 C ATOM 2194 CG GLN A 138 19.800 -5.919 4.604 1.00 72.24 C ATOM 2195 CD GLN A 138 20.045 -6.941 5.707 1.00 50.20 C ATOM 2196 OE1 GLN A 138 21.180 -7.342 5.983 1.00 21.12 O ATOM 2197 NE2 GLN A 138 18.970 -7.401 6.324 1.00 24.22 N ATOM 0 H GLN A 138 19.214 -7.847 1.205 1.00 61.33 H new ATOM 0 HA GLN A 138 18.708 -8.368 3.891 1.00 65.12 H new ATOM 0 HB2 GLN A 138 20.587 -7.066 2.971 1.00 11.53 H new ATOM 0 HB3 GLN A 138 19.484 -5.794 2.486 1.00 11.53 H new ATOM 0 HG2 GLN A 138 20.627 -5.210 4.579 1.00 72.24 H new ATOM 0 HG3 GLN A 138 18.899 -5.350 4.833 1.00 72.24 H new ATOM 0 HE21 GLN A 138 18.047 -7.048 6.072 1.00 24.22 H new ATOM 0 HE22 GLN A 138 19.064 -8.109 7.052 1.00 24.22 H new ATOM 2206 N THR A 139 16.541 -6.199 2.628 1.00 33.31 N ATOM 2207 CA THR A 139 15.251 -5.570 2.891 1.00 32.42 C ATOM 2208 C THR A 139 14.066 -6.546 2.817 1.00 22.12 C ATOM 2209 O THR A 139 12.937 -6.237 3.196 1.00 41.21 O ATOM 2210 CB THR A 139 15.034 -4.406 1.916 1.00 50.11 C ATOM 2211 OG1 THR A 139 16.241 -3.806 1.490 1.00 71.13 O ATOM 2212 CG2 THR A 139 14.190 -3.359 2.631 1.00 32.22 C ATOM 0 H THR A 139 16.940 -5.963 1.719 1.00 33.31 H new ATOM 0 HA THR A 139 15.285 -5.205 3.918 1.00 32.42 H new ATOM 0 HB THR A 139 14.545 -4.798 1.024 1.00 50.11 H new ATOM 0 HG1 THR A 139 16.041 -3.073 0.870 1.00 71.13 H new ATOM 0 HG21 THR A 139 14.016 -2.515 1.964 1.00 32.22 H new ATOM 0 HG22 THR A 139 13.234 -3.797 2.919 1.00 32.22 H new ATOM 0 HG23 THR A 139 14.715 -3.015 3.522 1.00 32.22 H new ATOM 2220 N ILE A 140 14.274 -7.751 2.296 1.00 33.24 N ATOM 2221 CA ILE A 140 13.273 -8.796 2.436 1.00 70.20 C ATOM 2222 C ILE A 140 13.354 -9.301 3.865 1.00 11.23 C ATOM 2223 O ILE A 140 12.308 -9.420 4.504 1.00 5.51 O ATOM 2224 CB ILE A 140 13.350 -9.904 1.369 1.00 25.01 C ATOM 2225 CG1 ILE A 140 12.999 -9.317 -0.022 1.00 71.21 C ATOM 2226 CG2 ILE A 140 12.293 -10.954 1.765 1.00 11.41 C ATOM 2227 CD1 ILE A 140 13.429 -10.201 -1.201 1.00 1.21 C ATOM 0 H ILE A 140 15.112 -8.023 1.782 1.00 33.24 H new ATOM 0 HA ILE A 140 12.284 -8.380 2.246 1.00 70.20 H new ATOM 0 HB ILE A 140 14.349 -10.337 1.315 1.00 25.01 H new ATOM 0 HG12 ILE A 140 11.922 -9.157 -0.076 1.00 71.21 H new ATOM 0 HG13 ILE A 140 13.472 -8.340 -0.122 1.00 71.21 H new ATOM 0 HG21 ILE A 140 12.301 -11.769 1.041 1.00 11.41 H new ATOM 0 HG22 ILE A 140 12.523 -11.346 2.756 1.00 11.41 H new ATOM 0 HG23 ILE A 140 11.307 -10.490 1.779 1.00 11.41 H new ATOM 0 HD11 ILE A 140 13.148 -9.720 -2.138 1.00 1.21 H new ATOM 0 HD12 ILE A 140 14.510 -10.341 -1.175 1.00 1.21 H new ATOM 0 HD13 ILE A 140 12.936 -11.170 -1.128 1.00 1.21 H new ATOM 2239 N GLN A 141 14.561 -9.596 4.362 1.00 23.32 N ATOM 2240 CA GLN A 141 14.742 -10.189 5.678 1.00 25.15 C ATOM 2241 C GLN A 141 13.973 -9.396 6.719 1.00 22.12 C ATOM 2242 O GLN A 141 13.065 -9.915 7.364 1.00 70.03 O ATOM 2243 CB GLN A 141 16.221 -10.313 6.078 1.00 51.22 C ATOM 2244 CG GLN A 141 17.066 -11.097 5.071 1.00 30.14 C ATOM 2245 CD GLN A 141 18.218 -11.781 5.774 1.00 74.44 C ATOM 2246 OE1 GLN A 141 19.231 -11.179 6.109 1.00 30.24 O ATOM 2247 NE2 GLN A 141 18.071 -13.062 6.047 1.00 11.35 N ATOM 0 H GLN A 141 15.433 -9.428 3.860 1.00 23.32 H new ATOM 0 HA GLN A 141 14.347 -11.204 5.629 1.00 25.15 H new ATOM 0 HB2 GLN A 141 16.642 -9.314 6.193 1.00 51.22 H new ATOM 0 HB3 GLN A 141 16.286 -10.800 7.051 1.00 51.22 H new ATOM 0 HG2 GLN A 141 16.447 -11.839 4.566 1.00 30.14 H new ATOM 0 HG3 GLN A 141 17.447 -10.424 4.303 1.00 30.14 H new ATOM 0 HE21 GLN A 141 17.222 -13.550 5.762 1.00 11.35 H new ATOM 0 HE22 GLN A 141 18.806 -13.565 6.544 1.00 11.35 H new ATOM 2256 N ASN A 142 14.311 -8.120 6.813 1.00 33.41 N ATOM 2257 CA ASN A 142 13.874 -7.245 7.899 1.00 34.33 C ATOM 2258 C ASN A 142 12.375 -6.967 7.903 1.00 54.00 C ATOM 2259 O ASN A 142 11.764 -6.794 8.960 1.00 25.11 O ATOM 2260 CB ASN A 142 14.701 -5.955 7.880 1.00 13.52 C ATOM 2261 CG ASN A 142 14.655 -5.075 6.646 1.00 61.30 C ATOM 2262 OD1 ASN A 142 13.744 -5.141 5.841 1.00 4.41 O ATOM 2263 ND2 ASN A 142 15.713 -4.318 6.416 1.00 54.22 N ATOM 0 H ASN A 142 14.905 -7.652 6.129 1.00 33.41 H new ATOM 0 HA ASN A 142 14.054 -7.774 8.835 1.00 34.33 H new ATOM 0 HB2 ASN A 142 14.386 -5.349 8.729 1.00 13.52 H new ATOM 0 HB3 ASN A 142 15.742 -6.228 8.052 1.00 13.52 H new ATOM 0 HD21 ASN A 142 15.775 -3.777 5.553 1.00 54.22 H new ATOM 0 HD22 ASN A 142 16.467 -4.274 7.101 1.00 54.22 H new ATOM 2270 N VAL A 143 11.762 -7.055 6.733 1.00 54.53 N ATOM 2271 CA VAL A 143 10.316 -6.873 6.564 1.00 53.44 C ATOM 2272 C VAL A 143 9.617 -8.157 6.987 1.00 41.44 C ATOM 2273 O VAL A 143 8.563 -8.157 7.616 1.00 33.22 O ATOM 2274 CB VAL A 143 9.959 -6.527 5.104 1.00 50.23 C ATOM 2275 CG1 VAL A 143 8.448 -6.615 4.860 1.00 34.13 C ATOM 2276 CG2 VAL A 143 10.357 -5.102 4.731 1.00 3.54 C ATOM 0 H VAL A 143 12.253 -7.256 5.862 1.00 54.53 H new ATOM 0 HA VAL A 143 9.986 -6.040 7.184 1.00 53.44 H new ATOM 0 HB VAL A 143 10.507 -7.251 4.501 1.00 50.23 H new ATOM 0 HG11 VAL A 143 8.232 -6.365 3.821 1.00 34.13 H new ATOM 0 HG12 VAL A 143 8.104 -7.628 5.068 1.00 34.13 H new ATOM 0 HG13 VAL A 143 7.932 -5.914 5.517 1.00 34.13 H new ATOM 0 HG21 VAL A 143 10.084 -4.908 3.694 1.00 3.54 H new ATOM 0 HG22 VAL A 143 9.838 -4.397 5.381 1.00 3.54 H new ATOM 0 HG23 VAL A 143 11.434 -4.981 4.852 1.00 3.54 H new ATOM 2286 N LYS A 144 10.176 -9.288 6.577 1.00 61.40 N ATOM 2287 CA LYS A 144 9.663 -10.590 6.910 1.00 30.25 C ATOM 2288 C LYS A 144 9.752 -10.793 8.428 1.00 3.15 C ATOM 2289 O LYS A 144 8.836 -11.411 8.965 1.00 12.03 O ATOM 2290 CB LYS A 144 10.445 -11.570 6.028 1.00 1.21 C ATOM 2291 CG LYS A 144 10.374 -13.034 6.451 1.00 65.42 C ATOM 2292 CD LYS A 144 11.711 -13.766 6.319 1.00 74.33 C ATOM 2293 CE LYS A 144 12.558 -13.018 7.330 1.00 53.44 C ATOM 2294 NZ LYS A 144 13.293 -13.900 8.268 1.00 43.20 N ATOM 0 H LYS A 144 11.013 -9.316 5.994 1.00 61.40 H new ATOM 0 HA LYS A 144 8.604 -10.743 6.701 1.00 30.25 H new ATOM 0 HB2 LYS A 144 10.075 -11.487 5.006 1.00 1.21 H new ATOM 0 HB3 LYS A 144 11.491 -11.264 6.014 1.00 1.21 H new ATOM 0 HG2 LYS A 144 10.037 -13.090 7.486 1.00 65.42 H new ATOM 0 HG3 LYS A 144 9.626 -13.545 5.844 1.00 65.42 H new ATOM 0 HD2 LYS A 144 11.625 -14.826 6.558 1.00 74.33 H new ATOM 0 HD3 LYS A 144 12.119 -13.699 5.310 1.00 74.33 H new ATOM 0 HE2 LYS A 144 13.275 -12.393 6.797 1.00 53.44 H new ATOM 0 HE3 LYS A 144 11.916 -12.349 7.903 1.00 53.44 H new ATOM 0 HZ1 LYS A 144 13.913 -13.324 8.872 1.00 43.20 H new ATOM 0 HZ2 LYS A 144 12.614 -14.417 8.862 1.00 43.20 H new ATOM 0 HZ3 LYS A 144 13.868 -14.578 7.728 1.00 43.20 H new ATOM 2308 N GLU A 145 10.783 -10.276 9.108 1.00 51.01 N ATOM 2309 CA GLU A 145 10.880 -10.367 10.567 1.00 31.44 C ATOM 2310 C GLU A 145 9.773 -9.519 11.223 1.00 74.30 C ATOM 2311 O GLU A 145 9.088 -10.025 12.114 1.00 61.41 O ATOM 2312 CB GLU A 145 12.314 -10.088 11.083 1.00 12.01 C ATOM 2313 CG GLU A 145 13.313 -11.031 10.380 1.00 11.24 C ATOM 2314 CD GLU A 145 14.483 -11.610 11.187 1.00 43.12 C ATOM 2315 OE1 GLU A 145 14.238 -12.275 12.217 1.00 2.03 O ATOM 2316 OE2 GLU A 145 15.584 -11.754 10.595 1.00 61.53 O ATOM 0 H GLU A 145 11.564 -9.789 8.668 1.00 51.01 H new ATOM 0 HA GLU A 145 10.697 -11.396 10.875 1.00 31.44 H new ATOM 0 HB2 GLU A 145 12.584 -9.049 10.892 1.00 12.01 H new ATOM 0 HB3 GLU A 145 12.358 -10.236 12.162 1.00 12.01 H new ATOM 0 HG2 GLU A 145 12.746 -11.869 9.975 1.00 11.24 H new ATOM 0 HG3 GLU A 145 13.734 -10.491 9.531 1.00 11.24 H new ATOM 2323 N GLU A 146 9.499 -8.294 10.742 1.00 12.02 N ATOM 2324 CA GLU A 146 8.331 -7.513 11.162 1.00 14.31 C ATOM 2325 C GLU A 146 7.048 -8.316 10.948 1.00 34.41 C ATOM 2326 O GLU A 146 6.221 -8.423 11.849 1.00 50.02 O ATOM 2327 CB GLU A 146 8.218 -6.188 10.387 1.00 34.45 C ATOM 2328 CG GLU A 146 9.088 -5.041 10.883 1.00 34.31 C ATOM 2329 CD GLU A 146 8.509 -3.653 10.533 1.00 62.31 C ATOM 2330 OE1 GLU A 146 7.619 -3.546 9.649 1.00 5.43 O ATOM 2331 OE2 GLU A 146 9.032 -2.661 11.093 1.00 3.12 O ATOM 0 H GLU A 146 10.083 -7.821 10.052 1.00 12.02 H new ATOM 0 HA GLU A 146 8.463 -7.289 12.220 1.00 14.31 H new ATOM 0 HB2 GLU A 146 8.467 -6.380 9.343 1.00 34.45 H new ATOM 0 HB3 GLU A 146 7.178 -5.864 10.412 1.00 34.45 H new ATOM 0 HG2 GLU A 146 9.202 -5.119 11.964 1.00 34.31 H new ATOM 0 HG3 GLU A 146 10.084 -5.133 10.450 1.00 34.31 H new ATOM 2338 N ASN A 147 6.873 -8.880 9.751 1.00 54.20 N ATOM 2339 CA ASN A 147 5.647 -9.564 9.367 1.00 45.00 C ATOM 2340 C ASN A 147 5.372 -10.743 10.284 1.00 62.20 C ATOM 2341 O ASN A 147 4.220 -10.992 10.625 1.00 34.55 O ATOM 2342 CB ASN A 147 5.719 -10.091 7.925 1.00 1.21 C ATOM 2343 CG ASN A 147 5.549 -9.026 6.858 1.00 73.31 C ATOM 2344 OD1 ASN A 147 5.336 -7.855 7.135 1.00 52.44 O ATOM 2345 ND2 ASN A 147 5.606 -9.431 5.600 1.00 2.42 N ATOM 0 H ASN A 147 7.585 -8.872 9.020 1.00 54.20 H new ATOM 0 HA ASN A 147 4.846 -8.829 9.447 1.00 45.00 H new ATOM 0 HB2 ASN A 147 6.680 -10.584 7.779 1.00 1.21 H new ATOM 0 HB3 ASN A 147 4.948 -10.850 7.790 1.00 1.21 H new ATOM 0 HD21 ASN A 147 5.471 -8.762 4.842 1.00 2.42 H new ATOM 0 HD22 ASN A 147 5.785 -10.413 5.388 1.00 2.42 H new ATOM 2352 N ALA A 148 6.396 -11.529 10.613 1.00 43.32 N ATOM 2353 CA ALA A 148 6.233 -12.691 11.466 1.00 72.24 C ATOM 2354 C ALA A 148 5.726 -12.246 12.840 1.00 71.30 C ATOM 2355 O ALA A 148 4.716 -12.780 13.292 1.00 4.12 O ATOM 2356 CB ALA A 148 7.560 -13.444 11.559 1.00 41.32 C ATOM 0 H ALA A 148 7.353 -11.375 10.295 1.00 43.32 H new ATOM 0 HA ALA A 148 5.494 -13.373 11.044 1.00 72.24 H new ATOM 0 HB1 ALA A 148 7.439 -14.317 12.200 1.00 41.32 H new ATOM 0 HB2 ALA A 148 7.867 -13.764 10.563 1.00 41.32 H new ATOM 0 HB3 ALA A 148 8.322 -12.788 11.980 1.00 41.32 H new ATOM 2362 N ALA A 149 6.361 -11.234 13.447 1.00 34.32 N ATOM 2363 CA ALA A 149 5.939 -10.660 14.722 1.00 54.22 C ATOM 2364 C ALA A 149 4.505 -10.136 14.664 1.00 12.33 C ATOM 2365 O ALA A 149 3.706 -10.463 15.537 1.00 12.45 O ATOM 2366 CB ALA A 149 6.889 -9.534 15.119 1.00 22.41 C ATOM 0 H ALA A 149 7.192 -10.789 13.057 1.00 34.32 H new ATOM 0 HA ALA A 149 5.970 -11.452 15.471 1.00 54.22 H new ATOM 0 HB1 ALA A 149 6.571 -9.108 16.071 1.00 22.41 H new ATOM 0 HB2 ALA A 149 7.900 -9.929 15.218 1.00 22.41 H new ATOM 0 HB3 ALA A 149 6.876 -8.759 14.352 1.00 22.41 H new ATOM 2372 N PHE A 150 4.159 -9.367 13.628 1.00 50.11 N ATOM 2373 CA PHE A 150 2.806 -8.866 13.410 1.00 63.44 C ATOM 2374 C PHE A 150 1.822 -10.028 13.533 1.00 63.11 C ATOM 2375 O PHE A 150 0.891 -9.985 14.334 1.00 33.33 O ATOM 2376 CB PHE A 150 2.738 -8.161 12.041 1.00 13.02 C ATOM 2377 CG PHE A 150 1.415 -7.507 11.664 1.00 13.14 C ATOM 2378 CD1 PHE A 150 0.223 -8.259 11.606 1.00 74.30 C ATOM 2379 CD2 PHE A 150 1.384 -6.145 11.299 1.00 12.43 C ATOM 2380 CE1 PHE A 150 -0.986 -7.658 11.240 1.00 23.34 C ATOM 2381 CE2 PHE A 150 0.176 -5.542 10.904 1.00 33.14 C ATOM 2382 CZ PHE A 150 -1.011 -6.298 10.884 1.00 2.34 C ATOM 0 H PHE A 150 4.821 -9.073 12.910 1.00 50.11 H new ATOM 0 HA PHE A 150 2.533 -8.127 14.163 1.00 63.44 H new ATOM 0 HB2 PHE A 150 3.513 -7.395 12.016 1.00 13.02 H new ATOM 0 HB3 PHE A 150 2.986 -8.892 11.271 1.00 13.02 H new ATOM 0 HD1 PHE A 150 0.244 -9.312 11.847 1.00 74.30 H new ATOM 0 HD2 PHE A 150 2.293 -5.562 11.323 1.00 12.43 H new ATOM 0 HE1 PHE A 150 -1.898 -8.237 11.231 1.00 23.34 H new ATOM 0 HE2 PHE A 150 0.159 -4.501 10.617 1.00 33.14 H new ATOM 0 HZ PHE A 150 -1.942 -5.833 10.595 1.00 2.34 H new ATOM 2392 N LYS A 151 2.025 -11.089 12.746 1.00 50.10 N ATOM 2393 CA LYS A 151 1.117 -12.236 12.724 1.00 44.02 C ATOM 2394 C LYS A 151 1.220 -13.086 13.995 1.00 71.43 C ATOM 2395 O LYS A 151 0.438 -14.022 14.158 1.00 70.44 O ATOM 2396 CB LYS A 151 1.495 -13.169 11.570 1.00 43.11 C ATOM 2397 CG LYS A 151 1.309 -12.587 10.176 1.00 73.40 C ATOM 2398 CD LYS A 151 1.851 -13.572 9.127 1.00 3.33 C ATOM 2399 CE LYS A 151 3.020 -12.927 8.396 1.00 53.13 C ATOM 2400 NZ LYS A 151 4.130 -13.879 8.183 1.00 12.32 N ATOM 0 H LYS A 151 2.818 -11.175 12.111 1.00 50.10 H new ATOM 0 HA LYS A 151 0.111 -11.827 12.626 1.00 44.02 H new ATOM 0 HB2 LYS A 151 2.538 -13.461 11.688 1.00 43.11 H new ATOM 0 HB3 LYS A 151 0.899 -14.078 11.649 1.00 43.11 H new ATOM 0 HG2 LYS A 151 0.253 -12.389 9.992 1.00 73.40 H new ATOM 0 HG3 LYS A 151 1.831 -11.633 10.097 1.00 73.40 H new ATOM 0 HD2 LYS A 151 2.172 -14.496 9.609 1.00 3.33 H new ATOM 0 HD3 LYS A 151 1.066 -13.838 8.420 1.00 3.33 H new ATOM 0 HE2 LYS A 151 2.680 -12.545 7.434 1.00 53.13 H new ATOM 0 HE3 LYS A 151 3.380 -12.072 8.969 1.00 53.13 H new ATOM 0 HZ1 LYS A 151 4.906 -13.401 7.682 1.00 12.32 H new ATOM 0 HZ2 LYS A 151 4.472 -14.225 9.102 1.00 12.32 H new ATOM 0 HZ3 LYS A 151 3.794 -14.682 7.614 1.00 12.32 H new ATOM 2414 N GLU A 152 2.247 -12.898 14.813 1.00 25.32 N ATOM 2415 CA GLU A 152 2.413 -13.597 16.076 1.00 13.05 C ATOM 2416 C GLU A 152 1.526 -12.941 17.135 1.00 23.33 C ATOM 2417 O GLU A 152 1.000 -13.629 18.011 1.00 41.22 O ATOM 2418 CB GLU A 152 3.900 -13.593 16.468 1.00 41.43 C ATOM 2419 CG GLU A 152 4.191 -14.546 17.627 1.00 64.11 C ATOM 2420 CD GLU A 152 5.687 -14.721 17.886 1.00 25.25 C ATOM 2421 OE1 GLU A 152 6.480 -14.943 16.945 1.00 73.42 O ATOM 2422 OE2 GLU A 152 6.096 -14.742 19.070 1.00 70.12 O ATOM 0 H GLU A 152 3.002 -12.242 14.611 1.00 25.32 H new ATOM 0 HA GLU A 152 2.102 -14.638 15.987 1.00 13.05 H new ATOM 0 HB2 GLU A 152 4.503 -13.877 15.605 1.00 41.43 H new ATOM 0 HB3 GLU A 152 4.198 -12.582 16.746 1.00 41.43 H new ATOM 0 HG2 GLU A 152 3.712 -14.169 18.531 1.00 64.11 H new ATOM 0 HG3 GLU A 152 3.747 -15.518 17.413 1.00 64.11 H new ATOM 2429 N ILE A 153 1.333 -11.626 17.059 1.00 14.34 N ATOM 2430 CA ILE A 153 0.551 -10.859 18.013 1.00 10.45 C ATOM 2431 C ILE A 153 -0.893 -10.771 17.509 1.00 63.42 C ATOM 2432 O ILE A 153 -1.804 -11.227 18.204 1.00 62.22 O ATOM 2433 CB ILE A 153 1.221 -9.493 18.266 1.00 63.21 C ATOM 2434 CG1 ILE A 153 2.681 -9.673 18.757 1.00 42.31 C ATOM 2435 CG2 ILE A 153 0.419 -8.696 19.310 1.00 25.41 C ATOM 2436 CD1 ILE A 153 3.462 -8.362 18.888 1.00 72.30 C ATOM 0 H ILE A 153 1.728 -11.055 16.312 1.00 14.34 H new ATOM 0 HA ILE A 153 0.515 -11.350 18.985 1.00 10.45 H new ATOM 0 HB ILE A 153 1.237 -8.945 17.324 1.00 63.21 H new ATOM 0 HG12 ILE A 153 2.668 -10.174 19.725 1.00 42.31 H new ATOM 0 HG13 ILE A 153 3.208 -10.330 18.065 1.00 42.31 H new ATOM 0 HG21 ILE A 153 0.901 -7.733 19.481 1.00 25.41 H new ATOM 0 HG22 ILE A 153 -0.595 -8.535 18.944 1.00 25.41 H new ATOM 0 HG23 ILE A 153 0.383 -9.255 20.245 1.00 25.41 H new ATOM 0 HD11 ILE A 153 4.473 -8.574 19.236 1.00 72.30 H new ATOM 0 HD12 ILE A 153 3.509 -7.868 17.918 1.00 72.30 H new ATOM 0 HD13 ILE A 153 2.961 -7.710 19.604 1.00 72.30 H new ATOM 2448 N HIS A 154 -1.118 -10.204 16.320 1.00 21.52 N ATOM 2449 CA HIS A 154 -2.436 -9.832 15.813 1.00 71.33 C ATOM 2450 C HIS A 154 -2.603 -10.218 14.325 1.00 32.12 C ATOM 2451 O HIS A 154 -2.661 -9.349 13.454 1.00 65.12 O ATOM 2452 CB HIS A 154 -2.675 -8.344 16.131 1.00 10.43 C ATOM 2453 CG HIS A 154 -1.583 -7.391 15.700 1.00 73.24 C ATOM 2454 ND1 HIS A 154 -1.298 -7.046 14.403 1.00 21.35 N ATOM 2455 CD2 HIS A 154 -0.757 -6.659 16.511 1.00 74.10 C ATOM 2456 CE1 HIS A 154 -0.330 -6.121 14.426 1.00 52.22 C ATOM 2457 NE2 HIS A 154 0.022 -5.828 15.693 1.00 53.34 N ATOM 0 H HIS A 154 -0.365 -9.986 15.668 1.00 21.52 H new ATOM 0 HA HIS A 154 -3.221 -10.399 16.314 1.00 71.33 H new ATOM 0 HB2 HIS A 154 -3.607 -8.036 15.656 1.00 10.43 H new ATOM 0 HB3 HIS A 154 -2.816 -8.241 17.207 1.00 10.43 H new ATOM 0 HD1 HIS A 154 -1.745 -7.427 13.569 1.00 21.35 H new ATOM 0 HD2 HIS A 154 -0.713 -6.712 17.589 1.00 74.10 H new ATOM 0 HE1 HIS A 154 0.109 -5.671 13.548 1.00 52.22 H new ATOM 2465 N PRO A 155 -2.666 -11.524 14.000 1.00 14.02 N ATOM 2466 CA PRO A 155 -2.877 -11.998 12.636 1.00 70.22 C ATOM 2467 C PRO A 155 -4.321 -11.838 12.155 1.00 71.23 C ATOM 2468 O PRO A 155 -4.500 -11.709 10.925 1.00 33.53 O ATOM 2469 CB PRO A 155 -2.494 -13.474 12.653 1.00 30.42 C ATOM 2470 CG PRO A 155 -2.760 -13.906 14.089 1.00 31.51 C ATOM 2471 CD PRO A 155 -2.502 -12.646 14.913 1.00 12.33 C ATOM 0 HA PRO A 155 -2.277 -11.408 11.944 1.00 70.22 H new ATOM 0 HB2 PRO A 155 -3.091 -14.050 11.946 1.00 30.42 H new ATOM 0 HB3 PRO A 155 -1.449 -13.619 12.380 1.00 30.42 H new ATOM 0 HG2 PRO A 155 -3.783 -14.262 14.215 1.00 31.51 H new ATOM 0 HG3 PRO A 155 -2.100 -14.720 14.389 1.00 31.51 H new ATOM 0 HD2 PRO A 155 -3.201 -12.576 15.746 1.00 12.33 H new ATOM 0 HD3 PRO A 155 -1.499 -12.658 15.339 1.00 12.33 H new TER 2479 PRO A 155