USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 K(o=0,f=0.68) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 THR OG1 : rot -71:sc= 0.403 USER MOD Set 3.2: A 75 THR OG1 : rot 165:sc= 1.05 USER MOD Set 4.1: A 44 ASN : amide:sc=-0.00754 X(o=1.2,f=1.1) USER MOD Set 4.2: A 47 HIS : no HE2:sc= 0.617 K(o=1.2,f=-4!) USER MOD Set 4.3: A 64 THR OG1 : rot 180:sc= 0.565 USER MOD Set 5.1: A 30 GLN : amide:sc= 0.589 K(o=1.1,f=-1.3) USER MOD Set 5.2: A 33 LYS NZ :NH3+ 143:sc= 0.486 (180deg=-0.0893) USER MOD Set 6.1: A 1 MET CE :methyl 168:sc= -0.803 (180deg=-0.915) USER MOD Set 6.2: A 89 ASN : amide:sc=-0.00168 X(o=-0.81,f=-0.92) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 34:sc= 0.0786 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 16:sc= 0.688 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A -5 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS N :NH3+ 145:sc= 0.0526 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.055) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.626 K(o=0.63,f=-6.2!) USER MOD Single : A 14 ASN : amide:sc= 0.587 K(o=0.59,f=-0.56) USER MOD Single : A 19 MET CE :methyl 155:sc= -0.482 (180deg=-1.07) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 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 39 SER OG : rot 31:sc= 0.0512 USER MOD Single : A 43 GLN : amide:sc= 0.0626 K(o=0.063,f=-2.3) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc=-0.00334 (180deg=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.7) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= 0.635 (180deg=-0.0424) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 69 CYS SG : rot 33:sc= 0.0421 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0.323 (180deg=0.3) USER MOD Single : A 81 THR OG1 : rot 150:sc= 1.07 USER MOD Single : A 84 GLN : amide:sc= -0.0245 K(o=-0.024,f=-0.93) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 170:sc= -0.0731 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= 0.723 (180deg=0.249) USER MOD Single : A 97 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 118:sc= 0.0657 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 -3.624 -27.348 7.912 1.00 53.54 N ATOM 2 CA HIS A -7 -2.963 -26.693 6.735 1.00 73.55 C ATOM 3 C HIS A -7 -3.978 -26.910 5.581 1.00 35.32 C ATOM 4 O HIS A -7 -4.481 -28.022 5.397 1.00 32.42 O ATOM 5 CB HIS A -7 -1.552 -27.263 6.450 1.00 14.45 C ATOM 6 CG HIS A -7 -1.417 -28.766 6.334 1.00 61.54 C ATOM 7 ND1 HIS A -7 -1.673 -29.457 5.161 1.00 44.13 N ATOM 8 CD2 HIS A -7 -1.009 -29.721 7.242 1.00 52.03 C ATOM 9 CE1 HIS A -7 -1.439 -30.749 5.404 1.00 12.44 C ATOM 10 NE2 HIS A -7 -1.039 -30.985 6.649 1.00 53.30 N ATOM 0 H1 HIS A -7 -2.900 -27.786 8.517 1.00 53.54 H new ATOM 0 H2 HIS A -7 -4.147 -26.634 8.458 1.00 53.54 H new ATOM 0 H3 HIS A -7 -4.284 -28.079 7.577 1.00 53.54 H new ATOM 0 HA HIS A -7 -2.758 -25.635 6.895 1.00 73.55 H new ATOM 0 HB2 HIS A -7 -1.191 -26.820 5.522 1.00 14.45 H new ATOM 0 HB3 HIS A -7 -0.886 -26.926 7.244 1.00 14.45 H new ATOM 0 HD2 HIS A -7 -0.711 -29.521 8.260 1.00 52.03 H new ATOM 0 HE1 HIS A -7 -1.563 -31.525 4.663 1.00 12.44 H new ATOM 0 HE2 HIS A -7 -0.807 -31.883 7.074 1.00 53.30 H new ATOM 18 N HIS A -6 -4.106 -25.891 4.712 1.00 53.05 N ATOM 19 CA HIS A -6 -5.052 -25.866 3.595 1.00 35.03 C ATOM 20 C HIS A -6 -4.370 -26.262 2.276 1.00 24.41 C ATOM 21 O HIS A -6 -3.187 -25.976 2.084 1.00 34.34 O ATOM 22 CB HIS A -6 -5.671 -24.455 3.524 1.00 51.31 C ATOM 23 CG HIS A -6 -7.047 -24.412 2.909 1.00 14.31 C ATOM 24 ND1 HIS A -6 -7.277 -24.110 1.579 1.00 73.41 N ATOM 25 CD2 HIS A -6 -8.292 -24.612 3.465 1.00 23.21 C ATOM 26 CE1 HIS A -6 -8.600 -24.148 1.391 1.00 72.24 C ATOM 27 NE2 HIS A -6 -9.279 -24.446 2.493 1.00 72.33 N ATOM 0 H HIS A -6 -3.539 -25.045 4.773 1.00 53.05 H new ATOM 0 HA HIS A -6 -5.842 -26.600 3.757 1.00 35.03 H new ATOM 0 HB2 HIS A -6 -5.723 -24.043 4.532 1.00 51.31 H new ATOM 0 HB3 HIS A -6 -5.008 -23.809 2.949 1.00 51.31 H new ATOM 0 HD2 HIS A -6 -8.476 -24.860 4.500 1.00 23.21 H new ATOM 0 HE1 HIS A -6 -9.070 -23.956 0.438 1.00 72.24 H new ATOM 0 HE2 HIS A -6 -10.289 -24.533 2.603 1.00 72.33 H new ATOM 35 N HIS A -5 -5.152 -26.905 1.391 1.00 50.43 N ATOM 36 CA HIS A -5 -4.743 -27.471 0.096 1.00 55.13 C ATOM 37 C HIS A -5 -3.781 -28.671 0.246 1.00 13.31 C ATOM 38 O HIS A -5 -3.511 -29.107 1.367 1.00 52.24 O ATOM 39 CB HIS A -5 -4.222 -26.351 -0.852 1.00 1.34 C ATOM 40 CG HIS A -5 -4.774 -26.378 -2.261 1.00 10.41 C ATOM 41 ND1 HIS A -5 -4.746 -25.261 -3.081 1.00 13.43 N ATOM 42 CD2 HIS A -5 -5.395 -27.360 -3.004 1.00 10.01 C ATOM 43 CE1 HIS A -5 -5.336 -25.597 -4.233 1.00 62.12 C ATOM 44 NE2 HIS A -5 -5.751 -26.857 -4.258 1.00 1.30 N ATOM 0 H HIS A -5 -6.145 -27.051 1.573 1.00 50.43 H new ATOM 0 HA HIS A -5 -5.625 -27.896 -0.383 1.00 55.13 H new ATOM 0 HB2 HIS A -5 -4.458 -25.384 -0.407 1.00 1.34 H new ATOM 0 HB3 HIS A -5 -3.136 -26.421 -0.905 1.00 1.34 H new ATOM 0 HD2 HIS A -5 -5.579 -28.369 -2.666 1.00 10.01 H new ATOM 0 HE1 HIS A -5 -5.462 -24.913 -5.059 1.00 62.12 H new ATOM 0 HE2 HIS A -5 -6.222 -27.347 -5.019 1.00 1.30 H new ATOM 52 N HIS A -4 -3.332 -29.233 -0.889 1.00 5.50 N ATOM 53 CA HIS A -4 -2.540 -30.474 -0.936 1.00 1.40 C ATOM 54 C HIS A -4 -1.115 -30.270 -1.475 1.00 2.12 C ATOM 55 O HIS A -4 -0.295 -31.177 -1.332 1.00 34.13 O ATOM 56 CB HIS A -4 -3.307 -31.535 -1.753 1.00 34.44 C ATOM 57 CG HIS A -4 -4.710 -31.814 -1.263 1.00 60.11 C ATOM 58 ND1 HIS A -4 -5.044 -31.877 0.082 1.00 43.31 N ATOM 59 CD2 HIS A -4 -5.894 -31.992 -1.943 1.00 2.15 C ATOM 60 CE1 HIS A -4 -6.362 -32.081 0.154 1.00 64.34 C ATOM 61 NE2 HIS A -4 -6.942 -32.162 -1.036 1.00 55.02 N ATOM 0 H HIS A -4 -3.511 -28.834 -1.810 1.00 5.50 H new ATOM 0 HA HIS A -4 -2.410 -30.822 0.089 1.00 1.40 H new ATOM 0 HB2 HIS A -4 -3.357 -31.208 -2.792 1.00 34.44 H new ATOM 0 HB3 HIS A -4 -2.740 -32.466 -1.739 1.00 34.44 H new ATOM 0 HD2 HIS A -4 -5.997 -31.999 -3.018 1.00 2.15 H new ATOM 0 HE1 HIS A -4 -6.900 -32.171 1.086 1.00 64.34 H new ATOM 0 HE2 HIS A -4 -7.929 -32.314 -1.242 1.00 55.02 H new ATOM 69 N HIS A -3 -0.836 -29.085 -2.037 1.00 31.43 N ATOM 70 CA HIS A -3 0.501 -28.616 -2.399 1.00 62.02 C ATOM 71 C HIS A -3 0.787 -27.338 -1.602 1.00 24.05 C ATOM 72 O HIS A -3 -0.147 -26.608 -1.260 1.00 33.32 O ATOM 73 CB HIS A -3 0.565 -28.299 -3.911 1.00 13.35 C ATOM 74 CG HIS A -3 0.190 -29.427 -4.840 1.00 62.32 C ATOM 75 ND1 HIS A -3 -1.117 -29.688 -5.212 1.00 40.41 N ATOM 76 CD2 HIS A -3 0.959 -30.346 -5.521 1.00 42.41 C ATOM 77 CE1 HIS A -3 -1.089 -30.722 -6.059 1.00 21.53 C ATOM 78 NE2 HIS A -3 0.137 -31.171 -6.292 1.00 24.14 N ATOM 0 H HIS A -3 -1.564 -28.406 -2.258 1.00 31.43 H new ATOM 0 HA HIS A -3 1.238 -29.387 -2.173 1.00 62.02 H new ATOM 0 HB2 HIS A -3 -0.094 -27.454 -4.113 1.00 13.35 H new ATOM 0 HB3 HIS A -3 1.578 -27.978 -4.152 1.00 13.35 H new ATOM 0 HD2 HIS A -3 2.035 -30.417 -5.467 1.00 42.41 H new ATOM 0 HE1 HIS A -3 -1.974 -31.148 -6.508 1.00 21.53 H new ATOM 0 HE2 HIS A -3 0.416 -31.943 -6.897 1.00 24.14 H new ATOM 86 N HIS A -2 2.079 -27.056 -1.372 1.00 21.35 N ATOM 87 CA HIS A -2 2.535 -25.766 -0.852 1.00 55.22 C ATOM 88 C HIS A -2 2.356 -24.655 -1.898 1.00 65.41 C ATOM 89 O HIS A -2 2.696 -24.855 -3.065 1.00 24.41 O ATOM 90 CB HIS A -2 4.014 -25.854 -0.430 1.00 73.10 C ATOM 91 CG HIS A -2 4.262 -26.613 0.850 1.00 43.54 C ATOM 92 ND1 HIS A -2 5.253 -27.570 0.975 1.00 70.30 N ATOM 93 CD2 HIS A -2 3.664 -26.534 2.090 1.00 25.05 C ATOM 94 CE1 HIS A -2 5.211 -28.019 2.233 1.00 11.32 C ATOM 95 NE2 HIS A -2 4.273 -27.433 2.967 1.00 4.13 N ATOM 0 H HIS A -2 2.834 -27.720 -1.543 1.00 21.35 H new ATOM 0 HA HIS A -2 1.927 -25.520 0.019 1.00 55.22 H new ATOM 0 HB2 HIS A -2 4.579 -26.328 -1.233 1.00 73.10 H new ATOM 0 HB3 HIS A -2 4.406 -24.843 -0.319 1.00 73.10 H new ATOM 0 HD2 HIS A -2 2.847 -25.875 2.344 1.00 25.05 H new ATOM 0 HE1 HIS A -2 5.874 -28.782 2.614 1.00 11.32 H new ATOM 0 HE2 HIS A -2 4.049 -27.601 3.948 1.00 4.13 H new ATOM 103 N VAL A -1 1.866 -23.499 -1.431 1.00 10.11 N ATOM 104 CA VAL A -1 1.857 -22.246 -2.180 1.00 42.51 C ATOM 105 C VAL A -1 3.022 -21.370 -1.685 1.00 22.22 C ATOM 106 O VAL A -1 3.343 -21.386 -0.494 1.00 4.13 O ATOM 107 CB VAL A -1 0.516 -21.476 -2.007 1.00 30.15 C ATOM 108 CG1 VAL A -1 -0.653 -22.256 -2.636 1.00 3.44 C ATOM 109 CG2 VAL A -1 0.175 -21.047 -0.563 1.00 3.34 C ATOM 0 H VAL A -1 1.457 -23.412 -0.501 1.00 10.11 H new ATOM 0 HA VAL A -1 1.968 -22.476 -3.240 1.00 42.51 H new ATOM 0 HB VAL A -1 0.669 -20.540 -2.544 1.00 30.15 H new ATOM 0 HG11 VAL A -1 -1.578 -21.696 -2.501 1.00 3.44 H new ATOM 0 HG12 VAL A -1 -0.466 -22.397 -3.701 1.00 3.44 H new ATOM 0 HG13 VAL A -1 -0.744 -23.228 -2.152 1.00 3.44 H new ATOM 0 HG21 VAL A -1 -0.778 -20.519 -0.556 1.00 3.34 H new ATOM 0 HG22 VAL A -1 0.105 -21.930 0.072 1.00 3.34 H new ATOM 0 HG23 VAL A -1 0.957 -20.389 -0.185 1.00 3.34 H new ATOM 119 N ALA A 0 3.638 -20.640 -2.625 1.00 63.02 N ATOM 120 CA ALA A 0 4.800 -19.780 -2.385 1.00 75.14 C ATOM 121 C ALA A 0 4.567 -18.354 -2.910 1.00 52.10 C ATOM 122 O ALA A 0 5.531 -17.657 -3.226 1.00 75.20 O ATOM 123 CB ALA A 0 6.047 -20.446 -2.994 1.00 24.12 C ATOM 0 H ALA A 0 3.332 -20.633 -3.598 1.00 63.02 H new ATOM 0 HA ALA A 0 4.960 -19.671 -1.312 1.00 75.14 H new ATOM 0 HB1 ALA A 0 6.918 -19.814 -2.821 1.00 24.12 H new ATOM 0 HB2 ALA A 0 6.205 -21.418 -2.527 1.00 24.12 H new ATOM 0 HB3 ALA A 0 5.902 -20.578 -4.066 1.00 24.12 H new ATOM 129 N MET A 1 3.291 -17.939 -2.974 1.00 5.35 N ATOM 130 CA MET A 1 2.852 -16.599 -3.357 1.00 75.43 C ATOM 131 C MET A 1 1.957 -16.043 -2.244 1.00 42.13 C ATOM 132 O MET A 1 0.762 -15.830 -2.448 1.00 51.24 O ATOM 133 CB MET A 1 2.174 -16.634 -4.745 1.00 62.32 C ATOM 134 CG MET A 1 3.135 -17.038 -5.878 1.00 43.24 C ATOM 135 SD MET A 1 3.007 -16.051 -7.391 1.00 51.02 S ATOM 136 CE MET A 1 3.649 -14.468 -6.780 1.00 72.33 C ATOM 0 H MET A 1 2.511 -18.557 -2.750 1.00 5.35 H new ATOM 0 HA MET A 1 3.700 -15.922 -3.463 1.00 75.43 H new ATOM 0 HB2 MET A 1 1.340 -17.335 -4.717 1.00 62.32 H new ATOM 0 HB3 MET A 1 1.757 -15.651 -4.964 1.00 62.32 H new ATOM 0 HG2 MET A 1 4.157 -16.971 -5.506 1.00 43.24 H new ATOM 0 HG3 MET A 1 2.955 -18.083 -6.129 1.00 43.24 H new ATOM 0 HE1 MET A 1 3.842 -13.804 -7.623 1.00 72.33 H new ATOM 0 HE2 MET A 1 2.915 -14.009 -6.118 1.00 72.33 H new ATOM 0 HE3 MET A 1 4.576 -14.638 -6.232 1.00 72.33 H new ATOM 146 N SER A 2 2.586 -15.821 -1.082 1.00 23.44 N ATOM 147 CA SER A 2 1.984 -15.213 0.100 1.00 34.33 C ATOM 148 C SER A 2 2.660 -13.857 0.338 1.00 60.43 C ATOM 149 O SER A 2 3.889 -13.776 0.293 1.00 70.02 O ATOM 150 CB SER A 2 2.189 -16.149 1.306 1.00 73.21 C ATOM 151 OG SER A 2 1.361 -17.289 1.183 1.00 2.05 O ATOM 0 H SER A 2 3.565 -16.071 -0.940 1.00 23.44 H new ATOM 0 HA SER A 2 0.914 -15.061 -0.039 1.00 34.33 H new ATOM 0 HB2 SER A 2 3.234 -16.454 1.366 1.00 73.21 H new ATOM 0 HB3 SER A 2 1.957 -15.620 2.230 1.00 73.21 H new ATOM 0 HG SER A 2 1.500 -17.879 1.953 1.00 2.05 H new ATOM 157 N PHE A 3 1.842 -12.816 0.571 1.00 23.45 N ATOM 158 CA PHE A 3 2.263 -11.416 0.701 1.00 2.14 C ATOM 159 C PHE A 3 3.236 -11.128 1.857 1.00 52.53 C ATOM 160 O PHE A 3 3.937 -10.123 1.790 1.00 51.21 O ATOM 161 CB PHE A 3 1.033 -10.509 0.887 1.00 34.04 C ATOM 162 CG PHE A 3 0.081 -10.377 -0.282 1.00 74.30 C ATOM 163 CD1 PHE A 3 0.159 -9.256 -1.137 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.843 -11.403 -0.567 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.726 -9.139 -2.198 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.715 -11.269 -1.634 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.667 -10.133 -2.429 1.00 64.41 C ATOM 0 H PHE A 3 0.834 -12.934 0.677 1.00 23.45 H new ATOM 0 HA PHE A 3 2.798 -11.206 -0.225 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.467 -10.880 1.742 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.387 -9.511 1.148 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.904 -8.493 -0.965 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -0.871 -12.292 0.046 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.683 -8.275 -2.844 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.432 -12.048 -1.847 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.372 -10.020 -3.239 1.00 64.41 H new ATOM 177 N SER A 4 3.238 -11.988 2.888 1.00 22.24 N ATOM 178 CA SER A 4 4.044 -11.893 4.105 1.00 22.20 C ATOM 179 C SER A 4 5.557 -11.693 3.855 1.00 22.44 C ATOM 180 O SER A 4 6.167 -12.506 3.158 1.00 34.43 O ATOM 181 CB SER A 4 3.734 -13.125 4.981 1.00 73.43 C ATOM 182 OG SER A 4 4.077 -14.339 4.338 1.00 61.14 O ATOM 0 H SER A 4 2.641 -12.815 2.890 1.00 22.24 H new ATOM 0 HA SER A 4 3.763 -10.982 4.634 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.280 -13.047 5.921 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.673 -13.135 5.229 1.00 73.43 H new ATOM 0 HG SER A 4 4.874 -14.202 3.784 1.00 61.14 H new ATOM 188 N GLY A 5 6.119 -10.621 4.439 1.00 55.21 N ATOM 189 CA GLY A 5 7.532 -10.254 4.318 1.00 62.30 C ATOM 190 C GLY A 5 7.692 -8.723 4.321 1.00 12.11 C ATOM 191 O GLY A 5 6.709 -7.981 4.275 1.00 5.45 O ATOM 0 H GLY A 5 5.587 -9.974 5.021 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.098 -10.687 5.143 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.944 -10.667 3.397 1.00 62.30 H new ATOM 195 N LYS A 6 8.956 -8.265 4.360 1.00 62.03 N ATOM 196 CA LYS A 6 9.349 -6.857 4.214 1.00 45.11 C ATOM 197 C LYS A 6 9.753 -6.531 2.773 1.00 1.54 C ATOM 198 O LYS A 6 10.410 -7.345 2.122 1.00 41.23 O ATOM 199 CB LYS A 6 10.519 -6.513 5.158 1.00 53.32 C ATOM 200 CG LYS A 6 10.086 -6.098 6.569 1.00 72.05 C ATOM 201 CD LYS A 6 11.211 -5.380 7.327 1.00 60.24 C ATOM 202 CE LYS A 6 10.748 -4.826 8.680 1.00 31.03 C ATOM 203 NZ LYS A 6 11.813 -4.058 9.343 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.754 -8.885 4.498 1.00 62.03 H new ATOM 0 HA LYS A 6 8.479 -6.255 4.478 1.00 45.11 H new ATOM 0 HB2 LYS A 6 11.178 -7.378 5.232 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.102 -5.705 4.716 1.00 53.32 H new ATOM 0 HG2 LYS A 6 9.217 -5.443 6.504 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.778 -6.981 7.128 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.037 -6.073 7.485 1.00 60.24 H new ATOM 0 HD3 LYS A 6 11.593 -4.563 6.715 1.00 60.24 H new ATOM 0 HE2 LYS A 6 9.876 -4.189 8.534 1.00 31.03 H new ATOM 0 HE3 LYS A 6 10.437 -5.649 9.324 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 11.465 -3.698 10.255 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 12.636 -4.673 9.504 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 12.092 -3.259 8.739 1.00 25.41 H new ATOM 217 N TYR A 7 9.388 -5.314 2.338 1.00 52.01 N ATOM 218 CA TYR A 7 9.665 -4.777 1.008 1.00 55.21 C ATOM 219 C TYR A 7 9.959 -3.279 1.147 1.00 73.55 C ATOM 220 O TYR A 7 9.061 -2.526 1.520 1.00 72.24 O ATOM 221 CB TYR A 7 8.463 -5.020 0.054 1.00 63.20 C ATOM 222 CG TYR A 7 7.886 -6.424 0.076 1.00 53.41 C ATOM 223 CD1 TYR A 7 6.841 -6.736 0.970 1.00 60.51 C ATOM 224 CD2 TYR A 7 8.417 -7.428 -0.757 1.00 23.35 C ATOM 225 CE1 TYR A 7 6.360 -8.053 1.058 1.00 40.33 C ATOM 226 CE2 TYR A 7 7.934 -8.749 -0.669 1.00 34.11 C ATOM 227 CZ TYR A 7 6.913 -9.064 0.248 1.00 61.45 C ATOM 228 OH TYR A 7 6.465 -10.348 0.352 1.00 53.42 O ATOM 0 H TYR A 7 8.874 -4.659 2.928 1.00 52.01 H new ATOM 0 HA TYR A 7 10.528 -5.284 0.575 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.671 -4.316 0.309 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.777 -4.791 -0.964 1.00 63.20 H new ATOM 0 HD1 TYR A 7 6.410 -5.962 1.588 1.00 60.51 H new ATOM 0 HD2 TYR A 7 9.196 -7.185 -1.465 1.00 23.35 H new ATOM 0 HE1 TYR A 7 5.564 -8.291 1.748 1.00 40.33 H new ATOM 0 HE2 TYR A 7 8.347 -9.519 -1.304 1.00 34.11 H new ATOM 0 HH TYR A 7 5.610 -10.358 0.830 1.00 53.42 H new ATOM 238 N GLN A 8 11.193 -2.854 0.834 1.00 1.02 N ATOM 239 CA GLN A 8 11.569 -1.436 0.790 1.00 62.04 C ATOM 240 C GLN A 8 10.955 -0.752 -0.444 1.00 10.20 C ATOM 241 O GLN A 8 10.917 -1.371 -1.505 1.00 44.43 O ATOM 242 CB GLN A 8 13.105 -1.318 0.786 1.00 2.50 C ATOM 243 CG GLN A 8 13.647 0.124 0.894 1.00 63.23 C ATOM 244 CD GLN A 8 15.112 0.213 0.476 1.00 52.24 C ATOM 245 OE1 GLN A 8 15.987 -0.331 1.145 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.381 0.905 -0.632 1.00 2.00 N ATOM 0 H GLN A 8 11.959 -3.487 0.604 1.00 1.02 H new ATOM 0 HA GLN A 8 11.179 -0.929 1.673 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.502 -1.903 1.616 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.487 -1.766 -0.131 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.049 0.785 0.266 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.540 0.476 1.920 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.623 1.341 -1.158 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.344 0.998 -0.954 1.00 2.00 H new ATOM 255 N LEU A 9 10.551 0.523 -0.293 1.00 0.12 N ATOM 256 CA LEU A 9 10.131 1.409 -1.382 1.00 63.33 C ATOM 257 C LEU A 9 11.263 1.579 -2.411 1.00 42.21 C ATOM 258 O LEU A 9 12.387 1.920 -2.035 1.00 34.12 O ATOM 259 CB LEU A 9 9.651 2.757 -0.784 1.00 4.51 C ATOM 260 CG LEU A 9 8.979 3.765 -1.752 1.00 14.33 C ATOM 261 CD1 LEU A 9 9.967 4.576 -2.617 1.00 40.25 C ATOM 262 CD2 LEU A 9 7.835 3.148 -2.575 1.00 73.22 C ATOM 0 H LEU A 9 10.508 0.974 0.621 1.00 0.12 H new ATOM 0 HA LEU A 9 9.294 0.968 -1.923 1.00 63.33 H new ATOM 0 HB2 LEU A 9 8.946 2.538 0.018 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.510 3.249 -0.328 1.00 4.51 H new ATOM 0 HG LEU A 9 8.518 4.500 -1.093 1.00 14.33 H new ATOM 0 HD11 LEU A 9 9.412 5.255 -3.264 1.00 40.25 H new ATOM 0 HD12 LEU A 9 10.630 5.151 -1.970 1.00 40.25 H new ATOM 0 HD13 LEU A 9 10.559 3.895 -3.229 1.00 40.25 H new ATOM 0 HD21 LEU A 9 7.409 3.907 -3.231 1.00 73.22 H new ATOM 0 HD22 LEU A 9 8.222 2.325 -3.175 1.00 73.22 H new ATOM 0 HD23 LEU A 9 7.063 2.775 -1.902 1.00 73.22 H new ATOM 274 N GLN A 10 10.937 1.294 -3.678 1.00 32.14 N ATOM 275 CA GLN A 10 11.890 1.207 -4.781 1.00 23.51 C ATOM 276 C GLN A 10 11.721 2.394 -5.741 1.00 33.04 C ATOM 277 O GLN A 10 12.730 2.928 -6.200 1.00 11.12 O ATOM 278 CB GLN A 10 11.667 -0.148 -5.508 1.00 41.22 C ATOM 279 CG GLN A 10 12.965 -0.873 -5.912 1.00 70.53 C ATOM 280 CD GLN A 10 13.865 -1.313 -4.744 1.00 21.25 C ATOM 281 OE1 GLN A 10 15.030 -1.629 -4.963 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.353 -1.363 -3.511 1.00 41.31 N ATOM 0 H GLN A 10 9.976 1.113 -3.967 1.00 32.14 H new ATOM 0 HA GLN A 10 12.911 1.252 -4.401 1.00 23.51 H new ATOM 0 HB2 GLN A 10 11.086 -0.803 -4.859 1.00 41.22 H new ATOM 0 HB3 GLN A 10 11.069 0.027 -6.402 1.00 41.22 H new ATOM 0 HG2 GLN A 10 12.702 -1.754 -6.498 1.00 70.53 H new ATOM 0 HG3 GLN A 10 13.540 -0.216 -6.564 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.382 -1.096 -3.351 1.00 41.31 H new ATOM 0 HE22 GLN A 10 13.933 -1.668 -2.730 1.00 41.31 H new ATOM 291 N SER A 11 10.468 2.794 -6.011 1.00 22.42 N ATOM 292 CA SER A 11 10.116 3.907 -6.892 1.00 54.22 C ATOM 293 C SER A 11 8.643 4.293 -6.668 1.00 43.15 C ATOM 294 O SER A 11 7.882 3.519 -6.089 1.00 65.41 O ATOM 295 CB SER A 11 10.418 3.525 -8.363 1.00 55.50 C ATOM 296 OG SER A 11 10.205 4.599 -9.258 1.00 21.52 O ATOM 0 H SER A 11 9.651 2.335 -5.608 1.00 22.42 H new ATOM 0 HA SER A 11 10.720 4.784 -6.659 1.00 54.22 H new ATOM 0 HB2 SER A 11 11.452 3.190 -8.443 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.788 2.685 -8.653 1.00 55.50 H new ATOM 0 HG SER A 11 10.410 4.309 -10.171 1.00 21.52 H new ATOM 302 N GLN A 12 8.270 5.492 -7.139 1.00 52.11 N ATOM 303 CA GLN A 12 6.915 6.031 -7.075 1.00 10.15 C ATOM 304 C GLN A 12 6.717 7.114 -8.143 1.00 32.44 C ATOM 305 O GLN A 12 7.692 7.677 -8.642 1.00 14.54 O ATOM 306 CB GLN A 12 6.588 6.511 -5.642 1.00 74.31 C ATOM 307 CG GLN A 12 7.505 7.639 -5.117 1.00 73.50 C ATOM 308 CD GLN A 12 7.377 7.865 -3.611 1.00 72.40 C ATOM 309 OE1 GLN A 12 6.489 7.321 -2.958 1.00 42.42 O ATOM 310 NE2 GLN A 12 8.274 8.677 -3.048 1.00 0.03 N ATOM 0 H GLN A 12 8.928 6.129 -7.588 1.00 52.11 H new ATOM 0 HA GLN A 12 6.198 5.242 -7.303 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.555 6.858 -5.616 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.655 5.660 -4.964 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.541 7.397 -5.355 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.266 8.566 -5.639 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.998 9.112 -3.620 1.00 0.03 H new ATOM 0 HE22 GLN A 12 8.236 8.863 -2.046 1.00 0.03 H new ATOM 319 N GLU A 13 5.444 7.356 -8.488 1.00 45.34 N ATOM 320 CA GLU A 13 5.034 8.208 -9.598 1.00 24.53 C ATOM 321 C GLU A 13 3.678 8.847 -9.268 1.00 22.40 C ATOM 322 O GLU A 13 2.791 8.161 -8.757 1.00 5.02 O ATOM 323 CB GLU A 13 5.039 7.354 -10.884 1.00 33.31 C ATOM 324 CG GLU A 13 4.761 8.128 -12.188 1.00 43.25 C ATOM 325 CD GLU A 13 4.966 7.280 -13.450 1.00 23.35 C ATOM 326 OE1 GLU A 13 5.027 7.901 -14.532 1.00 25.34 O ATOM 327 OE2 GLU A 13 5.066 6.037 -13.330 1.00 32.21 O1- ATOM 0 H GLU A 13 4.655 6.950 -7.985 1.00 45.34 H new ATOM 0 HA GLU A 13 5.722 9.037 -9.763 1.00 24.53 H new ATOM 0 HB2 GLU A 13 6.008 6.863 -10.971 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.292 6.567 -10.781 1.00 33.31 H new ATOM 0 HG2 GLU A 13 3.737 8.500 -12.171 1.00 43.25 H new ATOM 0 HG3 GLU A 13 5.416 8.998 -12.233 1.00 43.25 H new ATOM 334 N ASN A 14 3.575 10.164 -9.528 1.00 13.20 N ATOM 335 CA ASN A 14 2.475 11.064 -9.138 1.00 14.42 C ATOM 336 C ASN A 14 2.289 11.144 -7.607 1.00 73.35 C ATOM 337 O ASN A 14 1.169 11.360 -7.138 1.00 12.12 O ATOM 338 CB ASN A 14 1.155 10.709 -9.873 1.00 70.55 C ATOM 339 CG ASN A 14 1.188 10.879 -11.396 1.00 40.33 C ATOM 340 OD1 ASN A 14 2.092 11.497 -11.955 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.173 10.343 -12.076 1.00 12.33 N ATOM 0 H ASN A 14 4.302 10.657 -10.047 1.00 13.20 H new ATOM 0 HA ASN A 14 2.761 12.065 -9.460 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.898 9.675 -9.645 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.356 11.332 -9.471 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.131 10.440 -13.091 1.00 12.33 H new ATOM 0 HD22 ASN A 14 -0.561 9.836 -11.581 1.00 12.33 H new ATOM 348 N PHE A 15 3.398 10.990 -6.856 1.00 42.24 N ATOM 349 CA PHE A 15 3.439 11.095 -5.399 1.00 12.22 C ATOM 350 C PHE A 15 2.997 12.474 -4.900 1.00 44.34 C ATOM 351 O PHE A 15 2.093 12.531 -4.074 1.00 11.34 O ATOM 352 CB PHE A 15 4.820 10.654 -4.854 1.00 35.14 C ATOM 353 CG PHE A 15 5.061 10.857 -3.363 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.689 9.859 -2.436 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.508 12.102 -2.873 1.00 61.51 C ATOM 356 CE1 PHE A 15 4.856 10.074 -1.075 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.630 12.310 -1.506 1.00 10.43 C ATOM 358 CZ PHE A 15 5.322 11.297 -0.610 1.00 3.43 C ATOM 0 H PHE A 15 4.309 10.784 -7.265 1.00 42.24 H new ATOM 0 HA PHE A 15 2.705 10.401 -4.991 1.00 12.22 H new ATOM 0 HB2 PHE A 15 4.953 9.596 -5.080 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.591 11.196 -5.401 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.273 8.926 -2.787 1.00 63.43 H new ATOM 0 HD2 PHE A 15 5.756 12.895 -3.563 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.622 9.286 -0.374 1.00 31.02 H new ATOM 0 HE2 PHE A 15 5.967 13.268 -1.137 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.445 11.459 0.451 1.00 3.43 H new ATOM 368 N GLU A 16 3.610 13.545 -5.431 1.00 1.55 N ATOM 369 CA GLU A 16 3.364 14.928 -5.017 1.00 11.22 C ATOM 370 C GLU A 16 1.921 15.394 -5.264 1.00 51.52 C ATOM 371 O GLU A 16 1.366 16.086 -4.413 1.00 62.13 O ATOM 372 CB GLU A 16 4.365 15.918 -5.666 1.00 73.44 C ATOM 373 CG GLU A 16 5.858 15.531 -5.606 1.00 44.03 C ATOM 374 CD GLU A 16 6.273 14.581 -6.733 1.00 73.15 C ATOM 375 OE1 GLU A 16 6.425 15.077 -7.869 1.00 1.33 O ATOM 376 OE2 GLU A 16 6.405 13.373 -6.443 1.00 53.41 O1- ATOM 0 H GLU A 16 4.304 13.467 -6.175 1.00 1.55 H new ATOM 0 HA GLU A 16 3.521 14.931 -3.938 1.00 11.22 H new ATOM 0 HB2 GLU A 16 4.088 16.045 -6.713 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.245 16.888 -5.184 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.465 16.435 -5.658 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.068 15.061 -4.645 1.00 44.03 H new ATOM 383 N ALA A 17 1.343 14.978 -6.403 1.00 1.05 N ATOM 384 CA ALA A 17 -0.047 15.237 -6.771 1.00 12.24 C ATOM 385 C ALA A 17 -1.047 14.548 -5.832 1.00 4.04 C ATOM 386 O ALA A 17 -2.017 15.188 -5.425 1.00 65.25 O ATOM 387 CB ALA A 17 -0.274 14.802 -8.227 1.00 32.13 C ATOM 0 H ALA A 17 1.848 14.439 -7.107 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.226 16.308 -6.672 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.310 14.993 -8.507 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.389 15.366 -8.883 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.062 13.737 -8.326 1.00 32.13 H new ATOM 393 N PHE A 18 -0.786 13.273 -5.493 1.00 52.01 N ATOM 394 CA PHE A 18 -1.627 12.463 -4.612 1.00 64.21 C ATOM 395 C PHE A 18 -1.523 12.857 -3.136 1.00 44.51 C ATOM 396 O PHE A 18 -2.551 12.950 -2.471 1.00 52.34 O ATOM 397 CB PHE A 18 -1.339 10.971 -4.844 1.00 12.02 C ATOM 398 CG PHE A 18 -2.136 10.020 -3.965 1.00 33.13 C ATOM 399 CD1 PHE A 18 -3.494 9.761 -4.246 1.00 2.05 C ATOM 400 CD2 PHE A 18 -1.578 9.530 -2.765 1.00 22.11 C ATOM 401 CE1 PHE A 18 -4.244 8.985 -3.373 1.00 10.12 C ATOM 402 CE2 PHE A 18 -2.347 8.759 -1.902 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.673 8.486 -2.209 1.00 10.15 C ATOM 0 H PHE A 18 0.034 12.772 -5.834 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.666 12.663 -4.876 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.544 10.735 -5.888 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.277 10.791 -4.679 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -3.949 10.165 -5.138 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -0.551 9.755 -2.517 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -5.277 8.768 -3.600 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -1.913 8.372 -0.992 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.265 7.881 -1.538 1.00 10.15 H new ATOM 413 N MET A 19 -0.289 13.092 -2.667 1.00 62.31 N ATOM 414 CA MET A 19 0.034 13.498 -1.302 1.00 51.31 C ATOM 415 C MET A 19 -0.477 14.920 -0.975 1.00 14.44 C ATOM 416 O MET A 19 -0.743 15.200 0.190 1.00 65.41 O ATOM 417 CB MET A 19 1.550 13.306 -1.080 1.00 62.30 C ATOM 418 CG MET A 19 1.994 13.064 0.374 1.00 22.14 C ATOM 419 SD MET A 19 1.434 11.539 1.202 1.00 35.13 S ATOM 420 CE MET A 19 1.306 10.325 -0.138 1.00 52.42 C ATOM 0 H MET A 19 0.539 12.999 -3.255 1.00 62.31 H new ATOM 0 HA MET A 19 -0.494 12.863 -0.591 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.882 12.462 -1.685 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.067 14.190 -1.454 1.00 62.30 H new ATOM 0 HG2 MET A 19 3.084 13.074 0.396 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.656 13.911 0.971 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.415 9.320 0.270 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.333 10.417 -0.621 1.00 52.42 H new ATOM 0 HE3 MET A 19 2.093 10.507 -0.870 1.00 52.42 H new ATOM 430 N LYS A 20 -0.679 15.766 -2.004 1.00 1.35 N ATOM 431 CA LYS A 20 -1.388 17.043 -1.887 1.00 40.15 C ATOM 432 C LYS A 20 -2.916 16.841 -1.904 1.00 62.15 C ATOM 433 O LYS A 20 -3.604 17.504 -1.128 1.00 53.14 O ATOM 434 CB LYS A 20 -0.946 17.998 -3.019 1.00 35.11 C ATOM 435 CG LYS A 20 -1.446 19.450 -2.847 1.00 52.34 C ATOM 436 CD LYS A 20 -1.525 20.250 -4.155 1.00 1.33 C ATOM 437 CE LYS A 20 -0.180 20.418 -4.872 1.00 34.32 C ATOM 438 NZ LYS A 20 -0.317 21.284 -6.055 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.348 15.574 -2.949 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.130 17.491 -0.928 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.143 18.003 -3.072 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.309 17.610 -3.971 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.434 19.430 -2.387 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.783 19.971 -2.156 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -2.224 19.755 -4.829 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -1.935 21.237 -3.940 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.551 20.846 -4.186 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.200 19.442 -5.174 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 0.607 21.382 -6.522 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.997 20.861 -6.718 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.657 22.222 -5.761 1.00 60.21 H new ATOM 452 N ALA A 21 -3.419 15.948 -2.778 1.00 12.13 N ATOM 453 CA ALA A 21 -4.849 15.673 -2.972 1.00 12.14 C ATOM 454 C ALA A 21 -5.557 15.067 -1.747 1.00 25.12 C ATOM 455 O ALA A 21 -6.739 15.348 -1.552 1.00 2.15 O ATOM 456 CB ALA A 21 -5.046 14.782 -4.209 1.00 42.34 C ATOM 0 H ALA A 21 -2.822 15.384 -3.384 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.324 16.642 -3.124 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.108 14.582 -4.348 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.655 15.291 -5.090 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.515 13.841 -4.068 1.00 42.34 H new ATOM 462 N ILE A 22 -4.826 14.285 -0.933 1.00 75.12 N ATOM 463 CA ILE A 22 -5.291 13.776 0.362 1.00 35.51 C ATOM 464 C ILE A 22 -5.262 14.836 1.488 1.00 73.45 C ATOM 465 O ILE A 22 -5.958 14.649 2.485 1.00 23.31 O ATOM 466 CB ILE A 22 -4.448 12.560 0.838 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.947 12.887 0.999 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.676 11.334 -0.068 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.152 11.839 1.770 1.00 1.15 C ATOM 0 H ILE A 22 -3.879 13.986 -1.164 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.325 13.482 0.184 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.804 12.309 1.837 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.505 13.005 0.009 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.849 13.846 1.508 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.073 10.500 0.290 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.730 11.056 -0.046 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.387 11.578 -1.090 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.109 12.149 1.835 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.564 11.736 2.774 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.214 10.882 1.252 1.00 1.15 H new ATOM 481 N GLY A 23 -4.481 15.917 1.311 1.00 70.33 N ATOM 482 CA GLY A 23 -4.416 17.039 2.243 1.00 22.51 C ATOM 483 C GLY A 23 -3.240 16.950 3.228 1.00 33.33 C ATOM 484 O GLY A 23 -3.321 17.581 4.281 1.00 32.51 O ATOM 0 H GLY A 23 -3.871 16.030 0.501 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.336 17.967 1.677 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.348 17.088 2.806 1.00 22.51 H new ATOM 488 N LEU A 24 -2.150 16.216 2.916 1.00 51.21 N ATOM 489 CA LEU A 24 -0.894 16.289 3.682 1.00 40.21 C ATOM 490 C LEU A 24 -0.137 17.592 3.321 1.00 64.14 C ATOM 491 O LEU A 24 -0.191 18.006 2.160 1.00 12.25 O ATOM 492 CB LEU A 24 -0.009 15.040 3.418 1.00 21.34 C ATOM 493 CG LEU A 24 -0.010 14.013 4.572 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.399 13.387 4.799 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.097 12.952 4.399 1.00 73.21 C ATOM 0 H LEU A 24 -2.119 15.563 2.133 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.131 16.304 4.746 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.354 14.549 2.508 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.015 15.365 3.236 1.00 21.34 H new ATOM 0 HG LEU A 24 0.225 14.563 5.483 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.346 12.672 5.620 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -2.115 14.171 5.045 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.720 12.874 3.892 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.061 12.250 5.232 1.00 73.21 H new ATOM 0 HD22 LEU A 24 0.942 12.414 3.464 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.071 13.442 4.379 1.00 73.21 H new ATOM 507 N PRO A 25 0.550 18.217 4.309 1.00 71.41 N ATOM 508 CA PRO A 25 1.286 19.478 4.098 1.00 32.11 C ATOM 509 C PRO A 25 2.468 19.306 3.132 1.00 31.01 C ATOM 510 O PRO A 25 3.160 18.291 3.200 1.00 43.43 O ATOM 511 CB PRO A 25 1.745 19.875 5.511 1.00 31.20 C ATOM 512 CG PRO A 25 1.854 18.564 6.268 1.00 71.02 C ATOM 513 CD PRO A 25 0.715 17.737 5.685 1.00 65.43 C ATOM 0 HA PRO A 25 0.670 20.245 3.629 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.702 20.396 5.484 1.00 31.20 H new ATOM 0 HB3 PRO A 25 1.029 20.547 5.985 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.821 18.086 6.111 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.740 18.707 7.342 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.952 16.673 5.704 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.201 17.870 6.260 1.00 65.43 H new ATOM 521 N GLU A 26 2.652 20.287 2.233 1.00 4.45 N ATOM 522 CA GLU A 26 3.621 20.234 1.137 1.00 4.32 C ATOM 523 C GLU A 26 5.102 20.171 1.575 1.00 42.12 C ATOM 524 O GLU A 26 5.917 19.662 0.811 1.00 64.11 O ATOM 525 CB GLU A 26 3.289 21.335 0.109 1.00 30.35 C ATOM 526 CG GLU A 26 4.087 21.253 -1.208 1.00 51.21 C ATOM 527 CD GLU A 26 3.558 22.231 -2.255 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.246 23.250 -2.484 1.00 53.40 O ATOM 529 OE2 GLU A 26 2.475 21.944 -2.812 1.00 73.13 O1- ATOM 0 H GLU A 26 2.118 21.156 2.252 1.00 4.45 H new ATOM 0 HA GLU A 26 3.511 19.270 0.640 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.225 21.286 -0.124 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.471 22.307 0.567 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.138 21.466 -1.010 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.036 20.238 -1.601 1.00 51.21 H new ATOM 536 N GLU A 27 5.414 20.578 2.819 1.00 23.43 N ATOM 537 CA GLU A 27 6.693 20.313 3.487 1.00 42.32 C ATOM 538 C GLU A 27 6.978 18.803 3.627 1.00 60.41 C ATOM 539 O GLU A 27 8.047 18.344 3.227 1.00 20.41 O ATOM 540 CB GLU A 27 6.693 21.038 4.857 1.00 44.32 C ATOM 541 CG GLU A 27 7.897 20.791 5.797 1.00 65.14 C ATOM 542 CD GLU A 27 9.223 21.349 5.270 1.00 54.33 C ATOM 543 OE1 GLU A 27 9.716 20.815 4.253 1.00 1.32 O ATOM 544 OE2 GLU A 27 9.733 22.292 5.911 1.00 2.33 O1- ATOM 0 H GLU A 27 4.766 21.112 3.398 1.00 23.43 H new ATOM 0 HA GLU A 27 7.505 20.703 2.873 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.627 22.110 4.670 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.786 20.751 5.389 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.686 21.240 6.767 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.005 19.718 5.959 1.00 65.14 H new ATOM 551 N LEU A 28 5.986 18.057 4.143 1.00 0.12 N ATOM 552 CA LEU A 28 6.010 16.602 4.300 1.00 12.23 C ATOM 553 C LEU A 28 5.927 15.839 2.960 1.00 43.24 C ATOM 554 O LEU A 28 6.291 14.665 2.933 1.00 61.10 O ATOM 555 CB LEU A 28 4.888 16.205 5.290 1.00 51.32 C ATOM 556 CG LEU A 28 4.933 14.765 5.855 1.00 2.11 C ATOM 557 CD1 LEU A 28 6.251 14.441 6.589 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.714 14.504 6.760 1.00 72.24 C ATOM 0 H LEU A 28 5.115 18.472 4.473 1.00 0.12 H new ATOM 0 HA LEU A 28 6.976 16.306 4.708 1.00 12.23 H new ATOM 0 HB2 LEU A 28 4.914 16.900 6.129 1.00 51.32 H new ATOM 0 HB3 LEU A 28 3.929 16.344 4.790 1.00 51.32 H new ATOM 0 HG LEU A 28 4.892 14.090 5.000 1.00 2.11 H new ATOM 0 HD11 LEU A 28 6.218 13.417 6.961 1.00 52.22 H new ATOM 0 HD12 LEU A 28 7.088 14.550 5.899 1.00 52.22 H new ATOM 0 HD13 LEU A 28 6.379 15.127 7.426 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.761 13.487 7.149 1.00 72.24 H new ATOM 0 HD22 LEU A 28 3.719 15.211 7.590 1.00 72.24 H new ATOM 0 HD23 LEU A 28 2.798 14.630 6.182 1.00 72.24 H new ATOM 570 N ILE A 29 5.510 16.512 1.871 1.00 60.55 N ATOM 571 CA ILE A 29 5.590 15.990 0.504 1.00 71.25 C ATOM 572 C ILE A 29 7.032 16.087 -0.031 1.00 13.24 C ATOM 573 O ILE A 29 7.554 15.084 -0.516 1.00 22.23 O ATOM 574 CB ILE A 29 4.642 16.729 -0.489 1.00 2.25 C ATOM 575 CG1 ILE A 29 3.173 16.616 -0.030 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.793 16.241 -1.947 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.170 17.385 -0.900 1.00 11.22 C ATOM 0 H ILE A 29 5.103 17.446 1.922 1.00 60.55 H new ATOM 0 HA ILE A 29 5.272 14.949 0.564 1.00 71.25 H new ATOM 0 HB ILE A 29 4.941 17.777 -0.478 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.890 15.563 -0.017 1.00 22.34 H new ATOM 0 HG13 ILE A 29 3.098 16.979 0.995 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.107 16.794 -2.589 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.817 16.407 -2.282 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.562 15.177 -2.000 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.164 17.248 -0.503 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.421 18.446 -0.894 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.211 17.008 -1.922 1.00 11.22 H new ATOM 589 N GLN A 30 7.655 17.276 0.076 1.00 32.25 N ATOM 590 CA GLN A 30 9.025 17.530 -0.384 1.00 61.21 C ATOM 591 C GLN A 30 10.093 16.715 0.366 1.00 51.51 C ATOM 592 O GLN A 30 11.089 16.335 -0.248 1.00 1.33 O ATOM 593 CB GLN A 30 9.340 19.045 -0.328 1.00 10.35 C ATOM 594 CG GLN A 30 8.539 19.944 -1.298 1.00 51.13 C ATOM 595 CD GLN A 30 8.555 19.476 -2.753 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.622 19.289 -3.334 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.376 19.294 -3.352 1.00 72.51 N ATOM 0 H GLN A 30 7.211 18.095 0.491 1.00 32.25 H new ATOM 0 HA GLN A 30 9.070 17.189 -1.418 1.00 61.21 H new ATOM 0 HB2 GLN A 30 9.163 19.395 0.689 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.402 19.182 -0.531 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.505 19.994 -0.957 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.940 20.956 -1.250 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.511 19.459 -2.837 1.00 72.51 H new ATOM 0 HE22 GLN A 30 7.340 18.989 -4.325 1.00 72.51 H new ATOM 606 N LYS A 31 9.843 16.434 1.654 1.00 43.00 N ATOM 607 CA LYS A 31 10.669 15.567 2.490 1.00 3.12 C ATOM 608 C LYS A 31 10.321 14.081 2.295 1.00 74.44 C ATOM 609 O LYS A 31 11.237 13.267 2.213 1.00 12.13 O ATOM 610 CB LYS A 31 10.527 15.996 3.965 1.00 33.32 C ATOM 611 CG LYS A 31 11.117 17.395 4.234 1.00 45.12 C ATOM 612 CD LYS A 31 10.906 17.913 5.664 1.00 12.15 C ATOM 613 CE LYS A 31 11.703 17.148 6.729 1.00 65.13 C ATOM 614 NZ LYS A 31 11.562 17.784 8.050 1.00 3.44 N1+ ATOM 0 H LYS A 31 9.038 16.816 2.150 1.00 43.00 H new ATOM 0 HA LYS A 31 11.710 15.678 2.187 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.473 15.991 4.241 1.00 33.32 H new ATOM 0 HB3 LYS A 31 11.027 15.266 4.602 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.186 17.370 4.025 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.672 18.103 3.535 1.00 45.12 H new ATOM 0 HD2 LYS A 31 11.185 18.966 5.703 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.845 17.855 5.908 1.00 12.15 H new ATOM 0 HE2 LYS A 31 11.354 16.117 6.779 1.00 65.13 H new ATOM 0 HE3 LYS A 31 12.755 17.115 6.447 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 12.110 17.249 8.753 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 11.917 18.760 8.005 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 10.559 17.793 8.326 1.00 3.44 H new ATOM 628 N GLY A 32 9.020 13.748 2.202 1.00 50.40 N ATOM 629 CA GLY A 32 8.525 12.371 2.122 1.00 15.11 C ATOM 630 C GLY A 32 8.827 11.690 0.778 1.00 24.21 C ATOM 631 O GLY A 32 8.917 10.463 0.745 1.00 34.34 O ATOM 0 H GLY A 32 8.275 14.444 2.180 1.00 50.40 H new ATOM 0 HA2 GLY A 32 8.971 11.785 2.926 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.448 12.370 2.287 1.00 15.11 H new ATOM 635 N LYS A 33 9.009 12.461 -0.310 1.00 12.04 N ATOM 636 CA LYS A 33 9.399 11.945 -1.627 1.00 4.24 C ATOM 637 C LYS A 33 10.892 11.556 -1.680 1.00 31.01 C ATOM 638 O LYS A 33 11.240 10.647 -2.432 1.00 75.03 O ATOM 639 CB LYS A 33 9.001 12.955 -2.730 1.00 50.23 C ATOM 640 CG LYS A 33 9.938 14.159 -2.924 1.00 63.12 C ATOM 641 CD LYS A 33 9.366 15.209 -3.892 1.00 33.54 C ATOM 642 CE LYS A 33 10.439 16.144 -4.472 1.00 3.24 C ATOM 643 NZ LYS A 33 11.206 16.837 -3.422 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.887 13.474 -0.294 1.00 12.04 H new ATOM 0 HA LYS A 33 8.853 11.020 -1.812 1.00 4.24 H new ATOM 0 HB2 LYS A 33 8.933 12.419 -3.676 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.003 13.331 -2.505 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.126 14.627 -1.958 1.00 63.12 H new ATOM 0 HG3 LYS A 33 10.899 13.809 -3.301 1.00 63.12 H new ATOM 0 HD2 LYS A 33 8.856 14.700 -4.710 1.00 33.54 H new ATOM 0 HD3 LYS A 33 8.617 15.805 -3.371 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.121 15.567 -5.096 1.00 3.24 H new ATOM 0 HE3 LYS A 33 9.963 16.882 -5.118 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.200 16.921 -3.716 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 10.808 17.786 -3.271 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 11.152 16.294 -2.537 1.00 40.25 H new ATOM 657 N ASP A 34 11.726 12.243 -0.877 1.00 62.15 N ATOM 658 CA ASP A 34 13.158 11.992 -0.709 1.00 21.33 C ATOM 659 C ASP A 34 13.410 10.753 0.173 1.00 71.54 C ATOM 660 O ASP A 34 14.250 9.925 -0.184 1.00 72.31 O ATOM 661 CB ASP A 34 13.873 13.251 -0.161 1.00 41.55 C ATOM 662 CG ASP A 34 15.367 13.071 0.139 1.00 64.03 C ATOM 663 OD1 ASP A 34 16.131 12.922 -0.839 1.00 3.04 O ATOM 664 OD2 ASP A 34 15.714 13.113 1.339 1.00 22.15 O1- ATOM 0 H ASP A 34 11.399 13.022 -0.305 1.00 62.15 H new ATOM 0 HA ASP A 34 13.584 11.773 -1.688 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.758 14.059 -0.884 1.00 41.55 H new ATOM 0 HB3 ASP A 34 13.370 13.567 0.753 1.00 41.55 H new ATOM 669 N ILE A 35 12.685 10.659 1.303 1.00 31.14 N ATOM 670 CA ILE A 35 12.785 9.573 2.279 1.00 55.24 C ATOM 671 C ILE A 35 12.344 8.233 1.657 1.00 62.22 C ATOM 672 O ILE A 35 11.156 8.040 1.395 1.00 12.45 O ATOM 673 CB ILE A 35 11.949 9.868 3.566 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.490 11.093 4.344 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.760 8.667 4.526 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.737 10.830 5.202 1.00 60.03 C ATOM 0 H ILE A 35 11.994 11.362 1.564 1.00 31.14 H new ATOM 0 HA ILE A 35 13.833 9.500 2.570 1.00 55.24 H new ATOM 0 HB ILE A 35 10.956 10.093 3.177 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.721 11.883 3.629 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.698 11.470 4.991 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.167 8.978 5.386 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.246 7.861 4.003 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.734 8.316 4.866 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.034 11.751 5.704 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.512 10.067 5.947 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.551 10.486 4.564 1.00 60.03 H new ATOM 688 N LYS A 36 13.328 7.345 1.432 1.00 74.41 N ATOM 689 CA LYS A 36 13.123 5.980 0.958 1.00 33.25 C ATOM 690 C LYS A 36 12.518 5.127 2.079 1.00 45.41 C ATOM 691 O LYS A 36 13.217 4.759 3.024 1.00 40.12 O ATOM 692 CB LYS A 36 14.451 5.415 0.408 1.00 5.55 C ATOM 693 CG LYS A 36 14.818 6.004 -0.973 1.00 63.32 C ATOM 694 CD LYS A 36 16.195 6.681 -1.047 1.00 41.44 C ATOM 695 CE LYS A 36 17.375 5.700 -0.963 1.00 21.10 C ATOM 696 NZ LYS A 36 18.657 6.397 -1.160 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.311 7.571 1.581 1.00 74.41 H new ATOM 0 HA LYS A 36 12.410 5.965 0.134 1.00 33.25 H new ATOM 0 HB2 LYS A 36 15.253 5.628 1.115 1.00 5.55 H new ATOM 0 HB3 LYS A 36 14.375 4.331 0.328 1.00 5.55 H new ATOM 0 HG2 LYS A 36 14.783 5.204 -1.713 1.00 63.32 H new ATOM 0 HG3 LYS A 36 14.057 6.732 -1.254 1.00 63.32 H new ATOM 0 HD2 LYS A 36 16.265 7.240 -1.980 1.00 41.44 H new ATOM 0 HD3 LYS A 36 16.278 7.404 -0.236 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.372 5.205 0.008 1.00 21.10 H new ATOM 0 HE3 LYS A 36 17.260 4.922 -1.718 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 19.437 5.712 -1.099 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 18.666 6.849 -2.097 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 18.774 7.123 -0.424 1.00 52.24 H new ATOM 710 N GLY A 37 11.204 4.892 1.958 1.00 23.34 N ATOM 711 CA GLY A 37 10.376 4.233 2.959 1.00 45.33 C ATOM 712 C GLY A 37 10.526 2.709 2.925 1.00 41.21 C ATOM 713 O GLY A 37 11.257 2.143 2.111 1.00 4.23 O ATOM 0 H GLY A 37 10.677 5.168 1.129 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.645 4.600 3.949 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.331 4.497 2.794 1.00 45.33 H new ATOM 717 N VAL A 38 9.799 2.055 3.839 1.00 63.12 N ATOM 718 CA VAL A 38 9.739 0.606 3.995 1.00 63.14 C ATOM 719 C VAL A 38 8.278 0.182 4.203 1.00 60.44 C ATOM 720 O VAL A 38 7.523 0.894 4.861 1.00 44.23 O ATOM 721 CB VAL A 38 10.594 0.120 5.208 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.476 -1.389 5.516 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.082 0.476 5.035 1.00 31.32 C ATOM 0 H VAL A 38 9.214 2.546 4.515 1.00 63.12 H new ATOM 0 HA VAL A 38 10.146 0.151 3.092 1.00 63.14 H new ATOM 0 HB VAL A 38 10.172 0.656 6.058 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.103 -1.636 6.373 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.438 -1.634 5.743 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.803 -1.964 4.650 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.644 0.121 5.899 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.467 0.002 4.132 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.190 1.557 4.951 1.00 31.32 H new ATOM 733 N SER A 39 7.926 -0.992 3.663 1.00 2.42 N ATOM 734 CA SER A 39 6.673 -1.695 3.914 1.00 44.24 C ATOM 735 C SER A 39 6.981 -3.026 4.618 1.00 54.13 C ATOM 736 O SER A 39 8.031 -3.625 4.377 1.00 2.40 O ATOM 737 CB SER A 39 5.933 -1.900 2.573 1.00 2.01 C ATOM 738 OG SER A 39 4.693 -2.560 2.738 1.00 13.42 O ATOM 0 H SER A 39 8.534 -1.493 3.015 1.00 2.42 H new ATOM 0 HA SER A 39 6.021 -1.115 4.567 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.766 -0.932 2.101 1.00 2.01 H new ATOM 0 HB3 SER A 39 6.563 -2.479 1.898 1.00 2.01 H new ATOM 0 HG SER A 39 4.313 -2.329 3.611 1.00 13.42 H new ATOM 744 N GLU A 40 6.033 -3.467 5.452 1.00 10.33 N ATOM 745 CA GLU A 40 5.999 -4.795 6.045 1.00 32.53 C ATOM 746 C GLU A 40 4.555 -5.287 5.943 1.00 52.00 C ATOM 747 O GLU A 40 3.653 -4.640 6.472 1.00 5.23 O ATOM 748 CB GLU A 40 6.524 -4.760 7.496 1.00 74.12 C ATOM 749 CG GLU A 40 6.525 -6.141 8.193 1.00 23.34 C ATOM 750 CD GLU A 40 6.986 -6.075 9.649 1.00 35.54 C ATOM 751 OE1 GLU A 40 6.407 -6.832 10.457 1.00 3.21 O ATOM 752 OE2 GLU A 40 7.909 -5.280 9.935 1.00 73.21 O1- ATOM 0 H GLU A 40 5.246 -2.885 5.738 1.00 10.33 H new ATOM 0 HA GLU A 40 6.655 -5.488 5.519 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.539 -4.363 7.496 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.912 -4.070 8.077 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.520 -6.562 8.155 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.176 -6.819 7.642 1.00 23.34 H new ATOM 759 N ILE A 41 4.368 -6.421 5.261 1.00 61.23 N ATOM 760 CA ILE A 41 3.061 -7.042 5.085 1.00 42.43 C ATOM 761 C ILE A 41 3.062 -8.369 5.866 1.00 63.52 C ATOM 762 O ILE A 41 4.106 -9.010 5.988 1.00 75.40 O ATOM 763 CB ILE A 41 2.751 -7.322 3.587 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.926 -6.059 2.705 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.332 -7.899 3.393 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.974 -6.355 1.196 1.00 12.11 C ATOM 0 H ILE A 41 5.128 -6.934 4.814 1.00 61.23 H new ATOM 0 HA ILE A 41 2.292 -6.363 5.454 1.00 42.43 H new ATOM 0 HB ILE A 41 3.479 -8.067 3.265 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.104 -5.372 2.905 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.845 -5.550 2.995 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.155 -8.081 2.333 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.242 -8.837 3.942 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.596 -7.188 3.767 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.098 -5.422 0.646 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.813 -7.017 0.982 1.00 12.11 H new ATOM 0 HD13 ILE A 41 2.045 -6.836 0.890 1.00 12.11 H new ATOM 778 N VAL A 42 1.887 -8.742 6.391 1.00 61.12 N ATOM 779 CA VAL A 42 1.656 -9.988 7.117 1.00 35.52 C ATOM 780 C VAL A 42 0.376 -10.625 6.549 1.00 4.05 C ATOM 781 O VAL A 42 -0.579 -9.904 6.258 1.00 65.04 O ATOM 782 CB VAL A 42 1.442 -9.736 8.639 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.321 -11.039 9.454 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.548 -8.857 9.258 1.00 72.01 C ATOM 0 H VAL A 42 1.049 -8.165 6.317 1.00 61.12 H new ATOM 0 HA VAL A 42 2.527 -10.633 6.998 1.00 35.52 H new ATOM 0 HB VAL A 42 0.494 -9.202 8.697 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.173 -10.797 10.507 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.471 -11.617 9.092 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.233 -11.625 9.341 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.348 -8.714 10.320 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.514 -9.346 9.133 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.565 -7.888 8.759 1.00 72.01 H new ATOM 794 N GLN A 43 0.376 -11.962 6.423 1.00 74.40 N ATOM 795 CA GLN A 43 -0.777 -12.752 5.997 1.00 30.22 C ATOM 796 C GLN A 43 -1.086 -13.791 7.082 1.00 35.33 C ATOM 797 O GLN A 43 -0.208 -14.566 7.459 1.00 41.12 O ATOM 798 CB GLN A 43 -0.492 -13.377 4.615 1.00 42.11 C ATOM 799 CG GLN A 43 -1.665 -14.219 4.068 1.00 34.04 C ATOM 800 CD GLN A 43 -1.536 -14.560 2.581 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.556 -14.214 1.926 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.548 -15.235 2.034 1.00 12.51 N ATOM 0 H GLN A 43 1.199 -12.531 6.620 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.664 -12.130 5.878 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.263 -12.582 3.905 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.395 -14.006 4.685 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.734 -15.145 4.639 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.596 -13.676 4.228 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.347 -15.508 2.606 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.522 -15.479 1.044 1.00 12.51 H new ATOM 811 N ASN A 44 -2.338 -13.757 7.562 1.00 25.45 N ATOM 812 CA ASN A 44 -2.861 -14.537 8.685 1.00 44.42 C ATOM 813 C ASN A 44 -4.166 -15.218 8.236 1.00 53.04 C ATOM 814 O ASN A 44 -5.228 -14.961 8.809 1.00 61.10 O ATOM 815 CB ASN A 44 -3.082 -13.591 9.895 1.00 64.41 C ATOM 816 CG ASN A 44 -1.805 -12.969 10.465 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.799 -13.650 10.646 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.844 -11.668 10.767 1.00 74.22 N ATOM 0 H ASN A 44 -3.048 -13.151 7.152 1.00 25.45 H new ATOM 0 HA ASN A 44 -2.160 -15.312 8.994 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.756 -12.790 9.593 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.583 -14.148 10.687 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -1.022 -11.211 11.161 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -2.696 -11.132 10.604 1.00 74.22 H new ATOM 825 N GLY A 45 -4.071 -16.058 7.191 1.00 55.11 N ATOM 826 CA GLY A 45 -5.222 -16.714 6.569 1.00 22.41 C ATOM 827 C GLY A 45 -5.982 -15.681 5.727 1.00 72.11 C ATOM 828 O GLY A 45 -5.413 -15.098 4.804 1.00 3.32 O ATOM 0 H GLY A 45 -3.182 -16.300 6.754 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.892 -17.543 5.943 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.876 -17.133 7.333 1.00 22.41 H new ATOM 832 N LYS A 46 -7.269 -15.473 6.052 1.00 5.11 N ATOM 833 CA LYS A 46 -8.113 -14.423 5.470 1.00 20.40 C ATOM 834 C LYS A 46 -7.769 -13.020 6.001 1.00 71.33 C ATOM 835 O LYS A 46 -7.971 -12.049 5.273 1.00 41.04 O ATOM 836 CB LYS A 46 -9.600 -14.743 5.725 1.00 51.11 C ATOM 837 CG LYS A 46 -10.114 -16.066 5.121 1.00 71.21 C ATOM 838 CD LYS A 46 -10.070 -16.145 3.580 1.00 71.33 C ATOM 839 CE LYS A 46 -8.804 -16.786 2.982 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.697 -18.215 3.324 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.759 -16.043 6.741 1.00 5.11 H new ATOM 0 HA LYS A 46 -7.917 -14.410 4.398 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.768 -14.768 6.802 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.202 -13.926 5.327 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.523 -16.887 5.528 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.142 -16.221 5.448 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -10.937 -16.710 3.238 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.168 -15.136 3.179 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -8.817 -16.672 1.898 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -7.923 -16.258 3.347 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -7.978 -18.663 2.721 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -8.423 -18.313 4.322 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.615 -18.679 3.170 1.00 73.11 H new ATOM 854 N HIS A 47 -7.243 -12.931 7.236 1.00 31.14 N ATOM 855 CA HIS A 47 -6.756 -11.681 7.813 1.00 24.30 C ATOM 856 C HIS A 47 -5.400 -11.286 7.200 1.00 32.21 C ATOM 857 O HIS A 47 -4.581 -12.148 6.891 1.00 44.23 O ATOM 858 CB HIS A 47 -6.715 -11.794 9.349 1.00 54.34 C ATOM 859 CG HIS A 47 -6.473 -10.486 10.064 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.378 -9.439 10.026 1.00 54.25 N ATOM 861 CD2 HIS A 47 -5.424 -10.033 10.834 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.861 -8.437 10.737 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.674 -8.726 11.258 1.00 23.21 N ATOM 0 H HIS A 47 -7.147 -13.733 7.859 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.445 -10.873 7.568 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.659 -12.214 9.696 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.931 -12.498 9.629 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.276 -9.435 9.542 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.539 -10.604 11.074 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -7.357 -7.487 10.875 1.00 22.13 H new ATOM 871 N PHE A 48 -5.210 -9.974 7.036 1.00 74.42 N ATOM 872 CA PHE A 48 -4.007 -9.328 6.530 1.00 52.41 C ATOM 873 C PHE A 48 -3.636 -8.146 7.432 1.00 65.41 C ATOM 874 O PHE A 48 -4.498 -7.601 8.126 1.00 43.24 O ATOM 875 CB PHE A 48 -4.249 -8.820 5.092 1.00 3.43 C ATOM 876 CG PHE A 48 -4.112 -9.851 3.989 1.00 54.13 C ATOM 877 CD1 PHE A 48 -2.833 -10.200 3.510 1.00 12.33 C ATOM 878 CD2 PHE A 48 -5.240 -10.549 3.511 1.00 73.22 C ATOM 879 CE1 PHE A 48 -2.707 -11.161 2.518 1.00 31.21 C ATOM 880 CE2 PHE A 48 -5.092 -11.506 2.516 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.831 -11.801 2.013 1.00 72.20 C ATOM 0 H PHE A 48 -5.938 -9.299 7.268 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.191 -10.051 6.525 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.252 -8.395 5.042 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.549 -8.009 4.892 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -1.954 -9.720 3.914 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -6.218 -10.339 3.918 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -1.729 -11.413 2.136 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -5.959 -12.022 2.132 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.724 -12.532 1.225 1.00 72.20 H new ATOM 891 N LYS A 49 -2.363 -7.742 7.350 1.00 64.51 N ATOM 892 CA LYS A 49 -1.869 -6.505 7.938 1.00 74.12 C ATOM 893 C LYS A 49 -0.916 -5.847 6.932 1.00 23.12 C ATOM 894 O LYS A 49 -0.115 -6.547 6.316 1.00 32.45 O ATOM 895 CB LYS A 49 -1.174 -6.796 9.283 1.00 31.13 C ATOM 896 CG LYS A 49 -1.277 -5.612 10.256 1.00 65.33 C ATOM 897 CD LYS A 49 -0.354 -5.702 11.484 1.00 22.54 C ATOM 898 CE LYS A 49 -0.396 -7.017 12.280 1.00 0.54 C ATOM 899 NZ LYS A 49 -1.745 -7.319 12.784 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.642 -8.277 6.865 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.691 -5.821 8.148 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.623 -7.679 9.739 1.00 31.13 H new ATOM 0 HB3 LYS A 49 -0.124 -7.028 9.105 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -1.049 -4.694 9.714 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -2.308 -5.531 10.600 1.00 65.33 H new ATOM 0 HD2 LYS A 49 0.671 -5.536 11.153 1.00 22.54 H new ATOM 0 HD3 LYS A 49 -0.606 -4.886 12.161 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.056 -7.835 11.645 1.00 0.54 H new ATOM 0 HE3 LYS A 49 0.298 -6.954 13.118 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 -1.673 -7.928 13.624 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 -2.227 -6.433 13.039 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 -2.290 -7.809 12.046 1.00 11.34 H new ATOM 913 N PHE A 50 -1.028 -4.519 6.791 1.00 3.40 N ATOM 914 CA PHE A 50 -0.237 -3.695 5.879 1.00 12.22 C ATOM 915 C PHE A 50 0.365 -2.517 6.652 1.00 40.53 C ATOM 916 O PHE A 50 -0.306 -1.502 6.832 1.00 2.33 O ATOM 917 CB PHE A 50 -1.120 -3.226 4.696 1.00 4.42 C ATOM 918 CG PHE A 50 -1.016 -4.062 3.437 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.631 -5.328 3.369 1.00 50.23 C ATOM 920 CD2 PHE A 50 -0.205 -3.630 2.364 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.489 -6.109 2.231 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.077 -4.425 1.233 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.719 -5.657 1.169 1.00 33.23 C ATOM 0 H PHE A 50 -1.699 -3.973 7.331 1.00 3.40 H new ATOM 0 HA PHE A 50 0.585 -4.276 5.462 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.160 -3.218 5.022 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.855 -2.197 4.452 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.213 -5.691 4.203 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.314 -2.685 2.423 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -1.978 -7.070 2.172 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.522 -4.086 0.401 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.617 -6.268 0.284 1.00 33.23 H new ATOM 933 N THR A 51 1.625 -2.678 7.085 1.00 53.41 N ATOM 934 CA THR A 51 2.431 -1.606 7.665 1.00 52.03 C ATOM 935 C THR A 51 3.185 -0.866 6.544 1.00 73.11 C ATOM 936 O THR A 51 3.736 -1.521 5.659 1.00 24.43 O ATOM 937 CB THR A 51 3.497 -2.146 8.656 1.00 20.44 C ATOM 938 OG1 THR A 51 2.880 -2.952 9.638 1.00 61.14 O ATOM 939 CG2 THR A 51 4.327 -1.066 9.378 1.00 52.31 C ATOM 0 H THR A 51 2.115 -3.572 7.039 1.00 53.41 H new ATOM 0 HA THR A 51 1.746 -0.947 8.198 1.00 52.03 H new ATOM 0 HB THR A 51 4.190 -2.712 8.034 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.560 -3.290 10.258 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.043 -1.544 10.047 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.863 -0.466 8.642 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.663 -0.423 9.956 1.00 52.31 H new ATOM 947 N ILE A 52 3.212 0.472 6.612 1.00 25.40 N ATOM 948 CA ILE A 52 4.002 1.326 5.723 1.00 53.13 C ATOM 949 C ILE A 52 4.646 2.418 6.593 1.00 32.23 C ATOM 950 O ILE A 52 3.950 3.021 7.404 1.00 61.24 O ATOM 951 CB ILE A 52 3.139 2.024 4.621 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.354 1.013 3.750 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.965 2.970 3.714 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.293 1.660 2.848 1.00 52.10 C ATOM 0 H ILE A 52 2.674 0.998 7.301 1.00 25.40 H new ATOM 0 HA ILE A 52 4.735 0.701 5.212 1.00 53.13 H new ATOM 0 HB ILE A 52 2.421 2.631 5.172 1.00 31.34 H new ATOM 0 HG12 ILE A 52 3.058 0.461 3.127 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.868 0.287 4.402 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.310 3.424 2.970 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.420 3.752 4.322 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.747 2.401 3.211 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.787 0.887 2.270 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.565 2.188 3.464 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.773 2.365 2.169 1.00 52.10 H new ATOM 966 N THR A 53 5.948 2.660 6.396 1.00 2.25 N ATOM 967 CA THR A 53 6.725 3.689 7.085 1.00 34.41 C ATOM 968 C THR A 53 7.423 4.569 6.039 1.00 12.24 C ATOM 969 O THR A 53 8.166 4.041 5.213 1.00 50.34 O ATOM 970 CB THR A 53 7.821 3.051 7.982 1.00 3.33 C ATOM 971 OG1 THR A 53 7.202 2.235 8.957 1.00 41.31 O ATOM 972 CG2 THR A 53 8.728 4.058 8.717 1.00 74.21 C ATOM 0 H THR A 53 6.505 2.125 5.730 1.00 2.25 H new ATOM 0 HA THR A 53 6.046 4.273 7.706 1.00 34.41 H new ATOM 0 HB THR A 53 8.462 2.489 7.302 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.888 1.827 9.526 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.460 3.518 9.317 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.245 4.681 7.988 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.121 4.688 9.367 1.00 74.21 H new ATOM 980 N ALA A 54 7.191 5.890 6.103 1.00 42.32 N ATOM 981 CA ALA A 54 7.806 6.890 5.226 1.00 33.40 C ATOM 982 C ALA A 54 7.494 8.292 5.757 1.00 4.42 C ATOM 983 O ALA A 54 6.347 8.554 6.115 1.00 71.34 O ATOM 984 CB ALA A 54 7.289 6.751 3.779 1.00 22.53 C ATOM 0 H ALA A 54 6.553 6.299 6.786 1.00 42.32 H new ATOM 0 HA ALA A 54 8.884 6.729 5.218 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.762 7.505 3.150 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.531 5.758 3.400 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.208 6.891 3.764 1.00 22.53 H new ATOM 990 N GLY A 55 8.505 9.178 5.756 1.00 31.11 N ATOM 991 CA GLY A 55 8.359 10.583 6.143 1.00 55.23 C ATOM 992 C GLY A 55 8.238 10.773 7.664 1.00 64.53 C ATOM 993 O GLY A 55 7.540 11.689 8.094 1.00 72.42 O ATOM 0 H GLY A 55 9.456 8.931 5.482 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.218 11.147 5.778 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.476 10.999 5.658 1.00 55.23 H new ATOM 997 N SER A 56 8.889 9.907 8.465 1.00 20.05 N ATOM 998 CA SER A 56 8.928 9.922 9.939 1.00 64.53 C ATOM 999 C SER A 56 7.575 9.600 10.616 1.00 74.02 C ATOM 1000 O SER A 56 7.375 9.955 11.778 1.00 44.30 O ATOM 1001 CB SER A 56 9.571 11.229 10.473 1.00 55.44 C ATOM 1002 OG SER A 56 10.929 11.308 10.090 1.00 64.35 O ATOM 0 H SER A 56 9.432 9.135 8.078 1.00 20.05 H new ATOM 0 HA SER A 56 9.574 9.093 10.228 1.00 64.53 H new ATOM 0 HB2 SER A 56 9.028 12.092 10.087 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.492 11.262 11.560 1.00 55.44 H new ATOM 0 HG SER A 56 11.318 12.139 10.434 1.00 64.35 H new ATOM 1008 N LYS A 57 6.684 8.908 9.888 1.00 63.33 N ATOM 1009 CA LYS A 57 5.381 8.436 10.359 1.00 55.45 C ATOM 1010 C LYS A 57 5.153 6.999 9.875 1.00 41.21 C ATOM 1011 O LYS A 57 5.802 6.562 8.922 1.00 52.43 O ATOM 1012 CB LYS A 57 4.270 9.430 9.930 1.00 2.22 C ATOM 1013 CG LYS A 57 4.068 9.667 8.415 1.00 75.24 C ATOM 1014 CD LYS A 57 3.181 8.650 7.657 1.00 51.34 C ATOM 1015 CE LYS A 57 1.698 8.659 8.070 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.057 9.951 7.779 1.00 60.33 N1+ ATOM 0 H LYS A 57 6.863 8.654 8.917 1.00 63.33 H new ATOM 0 HA LYS A 57 5.351 8.405 11.448 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.325 9.077 10.344 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.482 10.393 10.395 1.00 2.22 H new ATOM 0 HG2 LYS A 57 3.636 10.659 8.282 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.049 9.681 7.940 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.248 8.855 6.589 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.582 7.649 7.815 1.00 51.34 H new ATOM 0 HE2 LYS A 57 1.169 7.864 7.544 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.616 8.445 9.136 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.851 10.445 8.671 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.696 10.533 7.200 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 0.170 9.790 7.260 1.00 60.33 H new ATOM 1030 N VAL A 58 4.229 6.300 10.554 1.00 55.31 N ATOM 1031 CA VAL A 58 3.891 4.902 10.285 1.00 42.03 C ATOM 1032 C VAL A 58 2.363 4.762 10.152 1.00 54.23 C ATOM 1033 O VAL A 58 1.625 5.314 10.967 1.00 21.21 O ATOM 1034 CB VAL A 58 4.373 3.962 11.432 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.066 2.470 11.176 1.00 44.04 C ATOM 1036 CG2 VAL A 58 5.877 4.127 11.726 1.00 42.14 C ATOM 0 H VAL A 58 3.688 6.703 11.319 1.00 55.31 H new ATOM 0 HA VAL A 58 4.392 4.612 9.362 1.00 42.03 H new ATOM 0 HB VAL A 58 3.799 4.276 12.304 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.429 1.875 12.014 1.00 44.04 H new ATOM 0 HG12 VAL A 58 2.990 2.333 11.073 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.563 2.148 10.261 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.166 3.452 12.532 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.451 3.890 10.830 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.079 5.156 12.024 1.00 42.14 H new ATOM 1046 N ILE A 59 1.939 3.989 9.143 1.00 41.03 N ATOM 1047 CA ILE A 59 0.568 3.525 8.922 1.00 34.25 C ATOM 1048 C ILE A 59 0.505 2.031 9.300 1.00 14.03 C ATOM 1049 O ILE A 59 1.479 1.316 9.060 1.00 51.40 O ATOM 1050 CB ILE A 59 0.170 3.649 7.413 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.279 5.110 6.907 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.244 3.106 7.095 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.552 5.390 6.096 1.00 72.32 C ATOM 0 H ILE A 59 2.579 3.654 8.423 1.00 41.03 H new ATOM 0 HA ILE A 59 -0.110 4.131 9.523 1.00 34.25 H new ATOM 0 HB ILE A 59 0.890 3.023 6.885 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.591 5.337 6.291 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.248 5.785 7.763 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.449 3.226 6.031 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.296 2.049 7.358 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.985 3.660 7.672 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.558 6.432 5.776 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.428 5.196 6.715 1.00 72.32 H new ATOM 0 HD13 ILE A 59 1.575 4.742 5.220 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.648 1.582 9.824 1.00 35.51 N ATOM 1066 CA GLN A 60 -1.004 0.164 9.938 1.00 42.05 C ATOM 1067 C GLN A 60 -2.464 -0.055 9.528 1.00 42.53 C ATOM 1068 O GLN A 60 -3.353 0.610 10.059 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.706 -0.399 11.348 1.00 21.23 C ATOM 1070 CG GLN A 60 0.651 -1.128 11.419 1.00 52.05 C ATOM 1071 CD GLN A 60 0.861 -1.895 12.727 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.181 -3.082 12.710 1.00 23.35 O ATOM 1073 NE2 GLN A 60 0.697 -1.224 13.868 1.00 13.55 N ATOM 0 H GLN A 60 -1.368 2.207 10.185 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.373 -0.397 9.248 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.714 0.417 12.071 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -1.500 -1.088 11.636 1.00 21.23 H new ATOM 0 HG2 GLN A 60 0.726 -1.823 10.583 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.453 -0.399 11.301 1.00 52.05 H new ATOM 0 HE21 GLN A 60 0.431 -0.239 13.847 1.00 13.55 H new ATOM 0 HE22 GLN A 60 0.838 -1.695 14.762 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.668 -1.003 8.598 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.966 -1.379 8.044 1.00 41.34 C ATOM 1084 C ASN A 61 -4.213 -2.871 8.282 1.00 52.20 C ATOM 1085 O ASN A 61 -3.862 -3.689 7.430 1.00 25.44 O ATOM 1086 CB ASN A 61 -4.010 -1.063 6.526 1.00 25.31 C ATOM 1087 CG ASN A 61 -3.975 0.422 6.185 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -3.131 0.873 5.415 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -4.909 1.185 6.747 1.00 11.11 N ATOM 0 H ASN A 61 -1.900 -1.545 8.201 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.748 -0.805 8.541 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -3.166 -1.553 6.042 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.916 -1.498 6.104 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -4.942 2.184 6.543 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -5.592 0.771 7.381 1.00 11.11 H new ATOM 1096 N GLU A 62 -4.888 -3.188 9.398 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.613 -4.446 9.564 1.00 21.24 C ATOM 1098 C GLU A 62 -6.828 -4.478 8.615 1.00 44.03 C ATOM 1099 O GLU A 62 -7.565 -3.493 8.540 1.00 14.33 O ATOM 1100 CB GLU A 62 -6.112 -4.623 11.022 1.00 43.32 C ATOM 1101 CG GLU A 62 -5.131 -5.312 11.997 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.015 -4.446 12.586 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -3.249 -5.017 13.393 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -3.938 -3.246 12.246 1.00 11.32 O1- ATOM 0 H GLU A 62 -4.943 -2.573 10.210 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.926 -5.259 9.328 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.359 -3.640 11.422 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -7.037 -5.200 11.001 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -5.709 -5.727 12.822 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -4.670 -6.152 11.477 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.039 -5.630 7.967 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.262 -5.950 7.234 1.00 33.44 C ATOM 1113 C PHE A 63 -8.368 -7.465 7.055 1.00 12.32 C ATOM 1114 O PHE A 63 -7.348 -8.149 7.040 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.368 -5.178 5.894 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.336 -5.500 4.824 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -7.497 -6.624 3.984 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -6.142 -4.754 4.750 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -6.509 -6.948 3.065 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -5.176 -5.084 3.809 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.361 -6.176 2.967 1.00 52.40 C ATOM 0 H PHE A 63 -6.347 -6.379 7.939 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.117 -5.615 7.821 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.358 -5.362 5.475 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.307 -4.112 6.112 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -8.388 -7.230 4.057 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -5.979 -3.927 5.425 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -6.635 -7.807 2.422 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -4.277 -4.491 3.730 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.607 -6.424 2.234 1.00 52.40 H new ATOM 1131 N THR A 64 -9.603 -7.950 6.883 1.00 34.14 N ATOM 1132 CA THR A 64 -9.890 -9.341 6.551 1.00 3.13 C ATOM 1133 C THR A 64 -10.671 -9.360 5.234 1.00 74.33 C ATOM 1134 O THR A 64 -11.678 -8.662 5.124 1.00 14.33 O ATOM 1135 CB THR A 64 -10.743 -10.022 7.655 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.014 -10.059 8.864 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.194 -11.460 7.342 1.00 71.51 C ATOM 0 H THR A 64 -10.440 -7.375 6.973 1.00 34.14 H new ATOM 0 HA THR A 64 -8.951 -9.888 6.465 1.00 3.13 H new ATOM 0 HB THR A 64 -11.645 -9.413 7.723 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.555 -10.488 9.559 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.783 -11.846 8.174 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.801 -11.462 6.436 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.318 -12.092 7.193 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.187 -10.145 4.253 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.831 -10.263 2.946 1.00 54.10 C ATOM 1147 C VAL A 65 -12.160 -11.039 3.050 1.00 54.34 C ATOM 1148 O VAL A 65 -12.212 -12.091 3.689 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.916 -10.901 1.862 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.669 -10.038 1.628 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.533 -12.379 2.076 1.00 44.43 C ATOM 0 H VAL A 65 -9.343 -10.709 4.350 1.00 1.44 H new ATOM 0 HA VAL A 65 -11.036 -9.243 2.622 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.536 -10.919 0.966 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -8.043 -10.502 0.866 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.971 -9.045 1.294 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -8.106 -9.952 2.558 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.895 -12.712 1.258 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.997 -12.483 3.020 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.436 -12.989 2.102 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.211 -10.454 2.455 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.588 -10.937 2.542 1.00 2.14 C ATOM 1163 C GLY A 66 -15.356 -10.344 3.740 1.00 14.12 C ATOM 1164 O GLY A 66 -16.564 -10.565 3.822 1.00 1.40 O ATOM 0 H GLY A 66 -13.119 -9.612 1.887 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -15.114 -10.688 1.620 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.582 -12.024 2.622 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.697 -9.592 4.639 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.311 -8.875 5.762 1.00 2.33 C ATOM 1170 C GLU A 67 -15.045 -7.366 5.639 1.00 4.41 C ATOM 1171 O GLU A 67 -14.134 -6.952 4.919 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.730 -9.379 7.101 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.009 -10.863 7.412 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.473 -11.317 8.776 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -14.059 -10.449 9.577 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.474 -12.549 8.993 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.686 -9.465 4.599 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.385 -9.060 5.738 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.652 -9.221 7.095 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.137 -8.771 7.909 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.085 -11.037 7.378 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.562 -11.479 6.632 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.833 -6.572 6.383 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.620 -5.138 6.551 1.00 12.25 C ATOM 1185 C GLU A 68 -14.573 -4.875 7.650 1.00 3.41 C ATOM 1186 O GLU A 68 -14.586 -5.549 8.680 1.00 31.22 O ATOM 1187 CB GLU A 68 -16.970 -4.459 6.864 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.902 -2.922 6.959 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.269 -2.311 7.247 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.835 -1.708 6.310 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.718 -2.434 8.409 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.647 -6.921 6.890 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.227 -4.710 5.629 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.688 -4.732 6.091 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.351 -4.853 7.806 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.204 -2.637 7.746 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.512 -2.517 6.025 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.722 -3.866 7.414 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.724 -3.344 8.348 1.00 24.14 C ATOM 1200 C CYS A 69 -12.463 -1.869 8.016 1.00 1.24 C ATOM 1201 O CYS A 69 -12.660 -1.445 6.877 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.401 -4.143 8.306 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.440 -5.533 9.473 1.00 73.13 S ATOM 0 H CYS A 69 -13.714 -3.370 6.522 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.118 -3.445 9.359 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.230 -4.516 7.296 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.567 -3.484 8.548 1.00 31.21 H new ATOM 0 HG CYS A 69 -12.652 -5.995 9.557 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.998 -1.112 9.022 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.618 0.286 8.856 1.00 52.30 C ATOM 1211 C GLU A 70 -10.169 0.420 8.373 1.00 74.34 C ATOM 1212 O GLU A 70 -9.252 -0.036 9.059 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.831 1.058 10.163 1.00 50.13 C ATOM 1214 CG GLU A 70 -13.312 1.259 10.526 1.00 14.35 C ATOM 1215 CD GLU A 70 -13.525 2.065 11.810 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -12.534 2.611 12.342 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -14.699 2.114 12.238 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.877 -1.460 9.973 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.260 0.719 8.089 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -11.336 0.525 10.975 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.350 2.033 10.082 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -13.814 1.766 9.702 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.786 0.284 10.637 1.00 14.35 H new ATOM 1224 N LEU A 71 -10.001 1.084 7.218 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.707 1.427 6.638 1.00 60.35 C ATOM 1226 C LEU A 71 -8.298 2.829 7.108 1.00 15.41 C ATOM 1227 O LEU A 71 -8.890 3.817 6.676 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.776 1.340 5.091 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.095 0.082 4.510 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -8.765 -1.231 4.966 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -7.999 0.171 2.979 1.00 4.32 C ATOM 0 H LEU A 71 -10.787 1.403 6.652 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.950 0.718 6.972 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.821 1.353 4.781 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -8.306 2.226 4.665 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.083 0.055 4.914 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.241 -2.079 4.525 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -8.722 -1.303 6.053 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -9.806 -1.239 4.643 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.516 -0.726 2.592 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -9.000 0.255 2.556 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.413 1.047 2.702 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.256 2.865 7.957 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.472 4.044 8.316 1.00 5.22 C ATOM 1245 C GLU A 72 -5.750 4.604 7.078 1.00 54.31 C ATOM 1246 O GLU A 72 -4.746 4.042 6.642 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.490 3.642 9.439 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.543 4.756 9.924 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.603 4.233 11.007 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.415 4.019 10.682 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -4.095 4.037 12.139 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.927 2.025 8.432 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.117 4.842 8.683 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -6.067 3.284 10.291 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.887 2.805 9.088 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -3.962 5.137 9.084 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.125 5.591 10.313 1.00 61.31 H new ATOM 1258 N THR A 73 -6.294 5.697 6.530 1.00 14.12 N ATOM 1259 CA THR A 73 -5.750 6.405 5.373 1.00 13.34 C ATOM 1260 C THR A 73 -4.476 7.204 5.740 1.00 65.20 C ATOM 1261 O THR A 73 -4.085 7.250 6.907 1.00 23.23 O ATOM 1262 CB THR A 73 -6.826 7.340 4.752 1.00 62.31 C ATOM 1263 OG1 THR A 73 -7.029 8.527 5.498 1.00 65.12 O ATOM 1264 CG2 THR A 73 -8.177 6.639 4.521 1.00 60.04 C ATOM 0 H THR A 73 -7.148 6.122 6.891 1.00 14.12 H new ATOM 0 HA THR A 73 -5.466 5.659 4.631 1.00 13.34 H new ATOM 0 HB THR A 73 -6.414 7.614 3.781 1.00 62.31 H new ATOM 0 HG1 THR A 73 -7.482 8.311 6.340 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.884 7.346 4.086 1.00 60.04 H new ATOM 0 HG22 THR A 73 -8.039 5.798 3.841 1.00 60.04 H new ATOM 0 HG23 THR A 73 -8.566 6.276 5.472 1.00 60.04 H new ATOM 1272 N MET A 74 -3.831 7.797 4.722 1.00 72.21 N ATOM 1273 CA MET A 74 -2.560 8.521 4.830 1.00 42.23 C ATOM 1274 C MET A 74 -2.577 9.752 5.766 1.00 45.20 C ATOM 1275 O MET A 74 -1.528 10.078 6.321 1.00 11.12 O ATOM 1276 CB MET A 74 -2.095 8.904 3.412 1.00 54.15 C ATOM 1277 CG MET A 74 -1.647 7.713 2.551 1.00 21.54 C ATOM 1278 SD MET A 74 -0.093 6.950 3.089 1.00 51.13 S ATOM 1279 CE MET A 74 -0.154 5.420 2.123 1.00 13.43 C ATOM 0 H MET A 74 -4.195 7.783 3.769 1.00 72.21 H new ATOM 0 HA MET A 74 -1.852 7.844 5.308 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.909 9.420 2.902 1.00 54.15 H new ATOM 0 HB3 MET A 74 -1.269 9.611 3.492 1.00 54.15 H new ATOM 0 HG2 MET A 74 -2.432 6.957 2.560 1.00 21.54 H new ATOM 0 HG3 MET A 74 -1.537 8.046 1.519 1.00 21.54 H new ATOM 0 HE1 MET A 74 0.733 4.822 2.332 1.00 13.43 H new ATOM 0 HE2 MET A 74 -1.045 4.854 2.394 1.00 13.43 H new ATOM 0 HE3 MET A 74 -0.187 5.662 1.061 1.00 13.43 H new ATOM 1289 N THR A 75 -3.748 10.381 5.958 1.00 42.35 N ATOM 1290 CA THR A 75 -3.975 11.463 6.926 1.00 12.24 C ATOM 1291 C THR A 75 -4.218 10.952 8.369 1.00 50.13 C ATOM 1292 O THR A 75 -4.166 11.759 9.297 1.00 10.31 O ATOM 1293 CB THR A 75 -5.223 12.295 6.528 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.384 11.488 6.512 1.00 22.32 O ATOM 1295 CG2 THR A 75 -5.092 12.996 5.169 1.00 32.15 C ATOM 0 H THR A 75 -4.586 10.143 5.428 1.00 42.35 H new ATOM 0 HA THR A 75 -3.064 12.061 6.908 1.00 12.24 H new ATOM 0 HB THR A 75 -5.305 13.069 7.291 1.00 54.03 H new ATOM 0 HG1 THR A 75 -7.180 12.060 6.498 1.00 22.32 H new ATOM 0 HG21 THR A 75 -6.003 13.557 4.960 1.00 32.15 H new ATOM 0 HG22 THR A 75 -4.242 13.678 5.192 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.938 12.251 4.389 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.471 9.643 8.535 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.771 8.993 9.810 1.00 42.54 C ATOM 1305 C GLY A 76 -6.283 8.786 10.007 1.00 52.34 C ATOM 1306 O GLY A 76 -6.662 8.068 10.932 1.00 50.44 O ATOM 0 H GLY A 76 -4.471 8.989 7.752 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.264 8.029 9.854 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.378 9.598 10.627 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.139 9.373 9.147 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.592 9.176 9.138 1.00 22.12 C ATOM 1312 C GLU A 77 -8.947 7.727 8.777 1.00 21.20 C ATOM 1313 O GLU A 77 -8.421 7.212 7.795 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.239 10.142 8.125 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.145 11.623 8.534 1.00 15.44 C ATOM 1316 CD GLU A 77 -9.659 12.534 7.422 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -10.851 12.905 7.475 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -8.853 12.817 6.510 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.823 10.015 8.420 1.00 21.31 H new ATOM 0 HA GLU A 77 -8.976 9.383 10.137 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.760 10.011 7.155 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.288 9.875 8.001 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.724 11.790 9.442 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -8.110 11.875 8.765 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.835 7.109 9.568 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.303 5.741 9.355 1.00 3.40 C ATOM 1327 C LYS A 78 -11.685 5.760 8.686 1.00 71.00 C ATOM 1328 O LYS A 78 -12.520 6.586 9.054 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.362 5.008 10.707 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.999 4.890 11.418 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.977 3.810 12.510 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.716 2.401 11.954 1.00 24.13 C ATOM 1333 NZ LYS A 78 -8.933 1.367 12.979 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.252 7.556 10.385 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.612 5.213 8.697 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -11.058 5.532 11.362 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.765 4.008 10.549 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -8.229 4.666 10.679 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.744 5.852 11.862 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -8.206 4.055 13.241 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.930 3.816 13.038 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.374 2.216 11.105 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.693 2.339 11.584 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.748 0.429 12.570 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -8.288 1.530 13.778 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -9.917 1.411 13.314 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.909 4.830 7.741 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.201 4.628 7.081 1.00 52.00 C ATOM 1349 C VAL A 79 -13.433 3.139 6.787 1.00 21.12 C ATOM 1350 O VAL A 79 -12.516 2.447 6.339 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.347 5.419 5.746 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.479 6.933 5.978 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.266 5.120 4.689 1.00 11.12 C ATOM 0 H VAL A 79 -11.185 4.191 7.413 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.946 5.007 7.780 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.280 5.046 5.323 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.578 7.441 5.019 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.361 7.132 6.587 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.592 7.301 6.493 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.454 5.718 3.797 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.284 5.368 5.092 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.294 4.062 4.429 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.677 2.691 7.031 1.00 53.10 N ATOM 1364 CA LYS A 80 -15.167 1.340 6.766 1.00 4.31 C ATOM 1365 C LYS A 80 -15.176 0.986 5.270 1.00 51.25 C ATOM 1366 O LYS A 80 -15.556 1.821 4.450 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.585 1.203 7.347 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.615 1.010 8.872 1.00 11.33 C ATOM 1369 CD LYS A 80 -18.036 0.717 9.378 1.00 15.03 C ATOM 1370 CE LYS A 80 -18.055 -0.115 10.669 1.00 54.32 C ATOM 1371 NZ LYS A 80 -19.359 -0.774 10.843 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.395 3.292 7.436 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.482 0.640 7.245 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -17.160 2.093 7.091 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -17.081 0.356 6.873 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.953 0.189 9.148 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -16.232 1.906 9.360 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.555 1.660 9.552 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.589 0.187 8.603 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -17.264 -0.865 10.636 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -17.849 0.528 11.525 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -19.394 -1.233 11.775 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -20.118 -0.066 10.777 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -19.488 -1.490 10.099 1.00 45.32 H new ATOM 1385 N THR A 81 -14.786 -0.261 4.967 1.00 62.20 N ATOM 1386 CA THR A 81 -14.713 -0.808 3.614 1.00 53.21 C ATOM 1387 C THR A 81 -14.467 -2.329 3.648 1.00 74.41 C ATOM 1388 O THR A 81 -13.860 -2.829 4.594 1.00 1.11 O ATOM 1389 CB THR A 81 -13.602 -0.115 2.770 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.543 -0.657 1.465 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.178 -0.210 3.357 1.00 11.41 C ATOM 0 H THR A 81 -14.505 -0.933 5.682 1.00 62.20 H new ATOM 0 HA THR A 81 -15.674 -0.612 3.139 1.00 53.21 H new ATOM 0 HB THR A 81 -13.898 0.934 2.771 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.241 0.033 0.838 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.478 0.302 2.697 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.158 0.258 4.341 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.891 -1.258 3.448 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.928 -3.025 2.597 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.681 -4.447 2.365 1.00 2.52 C ATOM 1401 C VAL A 82 -13.592 -4.596 1.285 1.00 71.31 C ATOM 1402 O VAL A 82 -13.631 -3.894 0.273 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.972 -5.167 1.878 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.763 -6.658 1.536 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.108 -5.042 2.910 1.00 41.33 C ATOM 0 H VAL A 82 -15.498 -2.597 1.868 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.361 -4.901 3.303 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.247 -4.656 0.955 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.707 -7.091 1.204 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -15.023 -6.749 0.741 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.411 -7.188 2.421 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.995 -5.556 2.539 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.795 -5.493 3.852 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.339 -3.989 3.071 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.653 -5.522 1.527 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.525 -5.817 0.643 1.00 1.45 C ATOM 1417 C VAL A 83 -11.721 -7.214 0.021 1.00 42.54 C ATOM 1418 O VAL A 83 -12.231 -8.107 0.699 1.00 75.24 O ATOM 1419 CB VAL A 83 -10.189 -5.821 1.441 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.957 -6.039 0.538 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -10.022 -4.541 2.282 1.00 54.42 C ATOM 0 H VAL A 83 -12.661 -6.100 2.367 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.482 -5.050 -0.131 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.248 -6.672 2.120 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -8.053 -6.033 1.148 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -9.044 -6.999 0.029 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.902 -5.240 -0.201 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -9.077 -4.582 2.824 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -10.026 -3.671 1.625 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.845 -4.463 2.993 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.317 -7.379 -1.251 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.439 -8.633 -2.001 1.00 63.42 C ATOM 1433 C GLN A 84 -10.100 -9.013 -2.644 1.00 34.52 C ATOM 1434 O GLN A 84 -9.365 -8.126 -3.076 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.528 -8.485 -3.090 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.957 -8.187 -2.581 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.565 -9.255 -1.661 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.048 -10.362 -1.525 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.696 -8.928 -1.037 1.00 15.21 N ATOM 0 H GLN A 84 -10.889 -6.628 -1.793 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.724 -9.427 -1.310 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -12.230 -7.685 -3.767 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.556 -9.404 -3.675 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.943 -7.237 -2.047 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.612 -8.059 -3.443 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -16.102 -8.002 -1.169 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.156 -9.604 -0.427 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.835 -10.329 -2.712 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.619 -10.919 -3.270 1.00 3.11 C ATOM 1450 C LEU A 85 -8.965 -11.770 -4.498 1.00 44.15 C ATOM 1451 O LEU A 85 -9.838 -12.635 -4.410 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.928 -11.759 -2.170 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.562 -12.387 -2.568 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.445 -12.116 -1.539 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.690 -13.895 -2.861 1.00 63.34 C ATOM 0 H LEU A 85 -10.489 -11.031 -2.366 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.933 -10.138 -3.598 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.777 -11.127 -1.295 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.603 -12.560 -1.871 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.264 -11.886 -3.489 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.519 -12.581 -1.877 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.296 -11.041 -1.439 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.730 -12.534 -0.574 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.714 -14.296 -3.135 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.057 -14.408 -1.972 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.389 -14.048 -3.683 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.232 -11.532 -5.594 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.282 -12.321 -6.825 1.00 41.11 C ATOM 1469 C GLU A 86 -7.188 -13.402 -6.800 1.00 1.21 C ATOM 1470 O GLU A 86 -6.205 -13.270 -6.067 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.090 -11.384 -8.044 1.00 33.43 C ATOM 1472 CG GLU A 86 -8.965 -10.107 -8.067 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.475 -10.340 -7.947 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -10.942 -11.422 -8.369 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -11.144 -9.413 -7.443 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.568 -10.760 -5.646 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.251 -12.813 -6.904 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.043 -11.083 -8.084 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.292 -11.955 -8.950 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -8.649 -9.457 -7.251 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.770 -9.571 -8.996 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.360 -14.439 -7.638 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.457 -15.593 -7.746 1.00 74.23 C ATOM 1484 C GLY A 87 -5.079 -15.273 -8.362 1.00 62.21 C ATOM 1485 O GLY A 87 -4.232 -16.163 -8.410 1.00 1.23 O ATOM 0 H GLY A 87 -8.154 -14.497 -8.276 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.307 -16.015 -6.752 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -6.941 -16.361 -8.349 1.00 74.23 H new ATOM 1489 N ASP A 88 -4.855 -14.026 -8.816 1.00 51.20 N ATOM 1490 CA ASP A 88 -3.615 -13.528 -9.422 1.00 31.33 C ATOM 1491 C ASP A 88 -2.852 -12.584 -8.477 1.00 53.45 C ATOM 1492 O ASP A 88 -2.219 -11.636 -8.943 1.00 63.51 O ATOM 1493 CB ASP A 88 -3.858 -12.887 -10.808 1.00 70.11 C ATOM 1494 CG ASP A 88 -4.591 -13.811 -11.780 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -5.669 -13.396 -12.262 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -4.031 -14.892 -12.064 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.574 -13.304 -8.765 1.00 51.20 H new ATOM 0 HA ASP A 88 -2.977 -14.396 -9.587 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.436 -11.972 -10.681 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -2.900 -12.601 -11.242 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.867 -12.897 -7.167 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.051 -12.264 -6.118 1.00 32.45 C ATOM 1503 C ASN A 89 -2.406 -10.778 -5.879 1.00 53.43 C ATOM 1504 O ASN A 89 -1.513 -9.999 -5.536 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.524 -12.380 -6.398 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.022 -13.685 -7.016 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.323 -14.771 -6.532 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.754 -13.567 -8.096 1.00 2.41 N ATOM 0 H ASN A 89 -3.474 -13.629 -6.797 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.292 -12.823 -5.214 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.239 -11.562 -7.060 1.00 21.54 H new ATOM 0 HB3 ASN A 89 0.004 -12.227 -5.457 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.122 -14.401 -8.553 1.00 2.41 H new ATOM 0 HD22 ASN A 89 0.978 -12.643 -8.464 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.670 -10.389 -6.119 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.071 -8.986 -6.221 1.00 75.42 C ATOM 1517 C LYS A 90 -5.250 -8.669 -5.297 1.00 54.10 C ATOM 1518 O LYS A 90 -6.331 -9.228 -5.490 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.379 -8.659 -7.701 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.104 -8.438 -8.542 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.277 -8.673 -10.051 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.217 -7.680 -10.745 1.00 74.24 C ATOM 1523 NZ LYS A 90 -4.288 -7.952 -12.191 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.440 -11.045 -6.247 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.252 -8.349 -5.887 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -4.959 -9.474 -8.135 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.000 -7.765 -7.749 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -2.755 -7.417 -8.385 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.323 -9.102 -8.173 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -2.298 -8.622 -10.528 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -3.656 -9.683 -10.208 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.213 -7.749 -10.308 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -3.865 -6.662 -10.578 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -4.929 -7.269 -12.642 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -3.339 -7.863 -12.608 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -4.645 -8.916 -12.346 1.00 4.04 H new ATOM 1537 N LEU A 91 -5.028 -7.733 -4.353 1.00 63.34 N ATOM 1538 CA LEU A 91 -6.089 -7.095 -3.571 1.00 44.30 C ATOM 1539 C LEU A 91 -6.707 -5.940 -4.366 1.00 43.45 C ATOM 1540 O LEU A 91 -6.006 -5.267 -5.124 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.565 -6.518 -2.227 1.00 2.44 C ATOM 1542 CG LEU A 91 -5.322 -7.521 -1.083 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -6.553 -8.374 -0.751 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -4.074 -8.375 -1.304 1.00 64.04 C ATOM 0 H LEU A 91 -4.094 -7.400 -4.114 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.828 -7.868 -3.360 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.629 -5.996 -2.424 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -6.278 -5.772 -1.878 1.00 2.44 H new ATOM 0 HG LEU A 91 -5.133 -6.910 -0.200 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -6.313 -9.058 0.063 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -7.375 -7.725 -0.449 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -6.847 -8.946 -1.631 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -3.951 -9.063 -0.468 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -4.180 -8.942 -2.229 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -3.199 -7.729 -1.373 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.997 -5.699 -4.100 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.739 -4.526 -4.539 1.00 34.04 C ATOM 1558 C VAL A 92 -9.535 -4.014 -3.322 1.00 1.21 C ATOM 1559 O VAL A 92 -10.261 -4.791 -2.699 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.721 -4.857 -5.700 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.523 -3.627 -6.177 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -9.002 -5.495 -6.904 1.00 51.23 C ATOM 0 H VAL A 92 -8.567 -6.344 -3.553 1.00 1.53 H new ATOM 0 HA VAL A 92 -8.043 -3.777 -4.916 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.422 -5.579 -5.282 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -11.190 -3.920 -6.987 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -11.110 -3.232 -5.348 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.835 -2.860 -6.533 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.727 -5.709 -7.689 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -8.248 -4.806 -7.284 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.522 -6.422 -6.591 1.00 51.23 H new ATOM 1572 N THR A 93 -9.367 -2.721 -3.005 1.00 62.12 N ATOM 1573 CA THR A 93 -9.985 -2.039 -1.864 1.00 15.25 C ATOM 1574 C THR A 93 -10.247 -0.562 -2.216 1.00 24.45 C ATOM 1575 O THR A 93 -9.558 -0.017 -3.075 1.00 31.45 O ATOM 1576 CB THR A 93 -9.100 -2.149 -0.586 1.00 54.24 C ATOM 1577 OG1 THR A 93 -9.695 -1.479 0.509 1.00 74.54 O ATOM 1578 CG2 THR A 93 -7.678 -1.578 -0.709 1.00 53.44 C ATOM 0 H THR A 93 -8.775 -2.102 -3.558 1.00 62.12 H new ATOM 0 HA THR A 93 -10.934 -2.529 -1.648 1.00 15.25 H new ATOM 0 HB THR A 93 -9.025 -3.226 -0.438 1.00 54.24 H new ATOM 0 HG1 THR A 93 -9.207 -1.697 1.330 1.00 74.54 H new ATOM 0 HG21 THR A 93 -7.151 -1.707 0.236 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.141 -2.105 -1.498 1.00 53.44 H new ATOM 0 HG23 THR A 93 -7.732 -0.517 -0.953 1.00 53.44 H new ATOM 1586 N THR A 94 -11.252 0.056 -1.572 1.00 1.14 N ATOM 1587 CA THR A 94 -11.672 1.430 -1.860 1.00 54.14 C ATOM 1588 C THR A 94 -11.954 2.199 -0.555 1.00 52.11 C ATOM 1589 O THR A 94 -12.671 1.681 0.296 1.00 1.32 O ATOM 1590 CB THR A 94 -12.952 1.465 -2.740 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.788 0.635 -3.875 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.311 2.868 -3.261 1.00 1.00 C ATOM 0 H THR A 94 -11.796 -0.390 -0.834 1.00 1.14 H new ATOM 0 HA THR A 94 -10.853 1.903 -2.402 1.00 54.14 H new ATOM 0 HB THR A 94 -13.755 1.121 -2.088 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.601 0.664 -4.421 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.215 2.811 -3.867 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.481 3.537 -2.417 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.491 3.251 -3.868 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.403 3.414 -0.417 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.514 4.236 0.794 1.00 32.54 C ATOM 1602 C PHE A 95 -11.471 5.726 0.427 1.00 11.00 C ATOM 1603 O PHE A 95 -10.544 6.132 -0.262 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.406 3.832 1.803 1.00 13.41 C ATOM 1605 CG PHE A 95 -8.960 3.945 1.331 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.263 5.168 1.422 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.347 2.866 0.659 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -6.969 5.278 0.936 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.052 2.994 0.178 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.365 4.193 0.320 1.00 64.14 C ATOM 0 H PHE A 95 -10.859 3.859 -1.156 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.474 4.060 1.280 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.520 4.449 2.695 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.583 2.800 2.105 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.741 6.025 1.873 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.886 1.941 0.519 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.432 6.209 1.037 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.575 2.157 -0.310 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.355 4.280 -0.052 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.453 6.522 0.889 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.563 7.977 0.666 1.00 2.14 C ATOM 1622 C LYS A 96 -12.414 8.416 -0.813 1.00 73.30 C ATOM 1623 O LYS A 96 -11.676 9.361 -1.097 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.571 8.756 1.568 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.829 8.687 3.082 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.332 9.947 3.820 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.833 10.245 3.631 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.497 11.622 4.026 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.222 6.156 1.450 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.586 8.230 0.946 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.566 8.381 1.375 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.584 9.803 1.266 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.897 8.562 3.261 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -11.332 7.808 3.493 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.907 10.806 3.475 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.536 9.834 4.885 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -9.245 9.543 4.223 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.560 10.089 2.587 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -8.672 11.948 3.483 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.307 12.246 3.833 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -9.274 11.647 5.042 1.00 40.12 H new ATOM 1642 N ASN A 97 -13.094 7.713 -1.736 1.00 34.43 N ATOM 1643 CA ASN A 97 -13.033 7.908 -3.199 1.00 42.31 C ATOM 1644 C ASN A 97 -11.738 7.358 -3.856 1.00 20.05 C ATOM 1645 O ASN A 97 -11.573 7.534 -5.063 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.256 9.387 -3.652 1.00 63.24 C ATOM 1647 CG ASN A 97 -14.353 10.165 -2.910 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -15.461 9.668 -2.721 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -14.041 11.392 -2.484 1.00 21.54 N ATOM 0 H ASN A 97 -13.730 6.960 -1.473 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.873 7.313 -3.558 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -12.316 9.926 -3.537 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -13.495 9.387 -4.715 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -14.733 11.949 -1.983 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -13.111 11.772 -2.659 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.844 6.726 -3.071 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.516 6.281 -3.500 1.00 11.54 C ATOM 1658 C ILE A 98 -9.550 4.756 -3.720 1.00 44.12 C ATOM 1659 O ILE A 98 -9.517 4.005 -2.744 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.390 6.611 -2.460 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -8.455 8.076 -1.961 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.994 6.278 -3.022 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.588 8.407 -0.742 1.00 25.24 C ATOM 0 H ILE A 98 -11.037 6.508 -2.094 1.00 51.10 H new ATOM 0 HA ILE A 98 -9.278 6.818 -4.418 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.569 5.974 -1.594 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -8.161 8.732 -2.780 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -9.492 8.312 -1.720 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -6.235 6.518 -2.277 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.943 5.216 -3.263 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.816 6.864 -3.924 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.712 9.458 -0.482 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.892 7.786 0.100 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.541 8.213 -0.976 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.616 4.322 -4.992 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.563 2.908 -5.371 1.00 5.21 C ATOM 1677 C LYS A 99 -8.102 2.451 -5.443 1.00 52.23 C ATOM 1678 O LYS A 99 -7.391 2.840 -6.369 1.00 5.11 O ATOM 1679 CB LYS A 99 -10.332 2.677 -6.694 1.00 24.03 C ATOM 1680 CG LYS A 99 -10.538 1.190 -7.081 1.00 41.04 C ATOM 1681 CD LYS A 99 -9.446 0.534 -7.950 1.00 15.11 C ATOM 1682 CE LYS A 99 -9.382 1.087 -9.384 1.00 4.42 C ATOM 1683 NZ LYS A 99 -8.418 0.339 -10.209 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.708 4.952 -5.788 1.00 23.23 H new ATOM 0 HA LYS A 99 -10.057 2.299 -4.614 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -11.308 3.156 -6.618 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.795 3.176 -7.501 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -10.633 0.611 -6.162 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -11.487 1.106 -7.610 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -8.478 0.678 -7.471 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -9.624 -0.541 -7.992 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -10.371 1.034 -9.840 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -9.100 2.139 -9.357 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -8.400 0.738 -11.169 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -7.470 0.411 -9.786 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -8.702 -0.660 -10.255 1.00 61.23 H new ATOM 1697 N SER A 100 -7.701 1.628 -4.467 1.00 12.14 N ATOM 1698 CA SER A 100 -6.372 1.045 -4.345 1.00 4.03 C ATOM 1699 C SER A 100 -6.358 -0.398 -4.872 1.00 14.30 C ATOM 1700 O SER A 100 -7.315 -1.144 -4.663 1.00 34.33 O ATOM 1701 CB SER A 100 -5.935 1.148 -2.871 1.00 31.31 C ATOM 1702 OG SER A 100 -4.649 0.609 -2.638 1.00 30.12 O ATOM 0 H SER A 100 -8.325 1.342 -3.712 1.00 12.14 H new ATOM 0 HA SER A 100 -5.655 1.591 -4.958 1.00 4.03 H new ATOM 0 HB2 SER A 100 -5.945 2.195 -2.567 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.660 0.627 -2.245 1.00 31.31 H new ATOM 0 HG SER A 100 -4.422 0.702 -1.689 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.248 -0.756 -5.532 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.957 -2.100 -6.012 1.00 41.42 C ATOM 1710 C VAL A 101 -3.520 -2.441 -5.596 1.00 73.31 C ATOM 1711 O VAL A 101 -2.591 -1.738 -6.000 1.00 50.41 O ATOM 1712 CB VAL A 101 -5.060 -2.215 -7.564 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.661 -3.605 -8.113 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.467 -1.853 -8.067 1.00 33.25 C ATOM 0 H VAL A 101 -4.507 -0.090 -5.750 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.689 -2.784 -5.582 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.337 -1.494 -7.947 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.758 -3.609 -9.199 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.628 -3.821 -7.840 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.316 -4.366 -7.688 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.500 -1.945 -9.153 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.197 -2.530 -7.623 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.703 -0.828 -7.782 1.00 33.25 H new ATOM 1724 N THR A 102 -3.370 -3.531 -4.831 1.00 24.33 N ATOM 1725 CA THR A 102 -2.072 -4.134 -4.536 1.00 33.12 C ATOM 1726 C THR A 102 -1.852 -5.344 -5.462 1.00 23.12 C ATOM 1727 O THR A 102 -2.822 -5.973 -5.880 1.00 43.43 O ATOM 1728 CB THR A 102 -1.963 -4.648 -3.075 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.431 -3.671 -2.167 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.526 -5.017 -2.655 1.00 31.04 C ATOM 0 H THR A 102 -4.154 -4.019 -4.399 1.00 24.33 H new ATOM 0 HA THR A 102 -1.325 -3.355 -4.688 1.00 33.12 H new ATOM 0 HB THR A 102 -2.574 -5.550 -3.045 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.356 -4.013 -1.252 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.527 -5.368 -1.623 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.148 -5.805 -3.306 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.114 -4.139 -2.739 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.581 -5.651 -5.736 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.126 -6.831 -6.454 1.00 44.25 C ATOM 1740 C GLU A 103 1.124 -7.348 -5.736 1.00 51.33 C ATOM 1741 O GLU A 103 2.054 -6.569 -5.537 1.00 41.11 O ATOM 1742 CB GLU A 103 0.196 -6.428 -7.907 1.00 1.24 C ATOM 1743 CG GLU A 103 0.797 -7.539 -8.794 1.00 23.53 C ATOM 1744 CD GLU A 103 1.474 -6.960 -10.033 1.00 32.14 C ATOM 1745 OE1 GLU A 103 2.555 -6.358 -9.847 1.00 13.35 O ATOM 1746 OE2 GLU A 103 0.910 -7.136 -11.134 1.00 63.03 O1- ATOM 0 H GLU A 103 0.191 -5.050 -5.446 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.884 -7.614 -6.475 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -0.720 -6.070 -8.376 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.892 -5.589 -7.886 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.521 -8.114 -8.218 1.00 23.53 H new ATOM 0 HG3 GLU A 103 0.010 -8.230 -9.097 1.00 23.53 H new ATOM 1753 N LEU A 104 1.156 -8.655 -5.450 1.00 12.24 N ATOM 1754 CA LEU A 104 2.381 -9.404 -5.169 1.00 3.33 C ATOM 1755 C LEU A 104 2.843 -10.047 -6.487 1.00 4.31 C ATOM 1756 O LEU A 104 2.023 -10.587 -7.229 1.00 24.51 O ATOM 1757 CB LEU A 104 2.099 -10.419 -4.038 1.00 50.23 C ATOM 1758 CG LEU A 104 3.116 -11.569 -3.842 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.419 -11.083 -3.189 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.487 -12.712 -3.032 1.00 40.33 C ATOM 0 H LEU A 104 0.314 -9.230 -5.407 1.00 12.24 H new ATOM 0 HA LEU A 104 3.192 -8.769 -4.811 1.00 3.33 H new ATOM 0 HB2 LEU A 104 2.030 -9.868 -3.100 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.120 -10.863 -4.220 1.00 50.23 H new ATOM 0 HG LEU A 104 3.378 -11.946 -4.831 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.103 -11.924 -3.071 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.882 -10.325 -3.821 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.198 -10.655 -2.211 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.217 -13.512 -2.904 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.181 -12.340 -2.054 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.616 -13.097 -3.562 1.00 40.33 H new ATOM 1772 N ASN A 105 4.151 -9.975 -6.759 1.00 14.25 N ATOM 1773 CA ASN A 105 4.738 -10.459 -8.003 1.00 22.34 C ATOM 1774 C ASN A 105 6.131 -11.024 -7.699 1.00 31.52 C ATOM 1775 O ASN A 105 7.144 -10.399 -8.008 1.00 42.33 O ATOM 1776 CB ASN A 105 4.716 -9.329 -9.072 1.00 62.45 C ATOM 1777 CG ASN A 105 4.296 -9.839 -10.450 1.00 34.21 C ATOM 1778 OD1 ASN A 105 5.130 -9.990 -11.338 1.00 21.24 O ATOM 1779 ND2 ASN A 105 3.000 -10.105 -10.633 1.00 62.21 N ATOM 0 H ASN A 105 4.833 -9.575 -6.114 1.00 14.25 H new ATOM 0 HA ASN A 105 4.157 -11.275 -8.433 1.00 22.34 H new ATOM 0 HB2 ASN A 105 4.030 -8.544 -8.753 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.706 -8.878 -9.141 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.672 -10.447 -11.536 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.338 -9.966 -9.869 1.00 62.21 H new ATOM 1786 N GLY A 106 6.144 -12.203 -7.052 1.00 23.14 N ATOM 1787 CA GLY A 106 7.355 -12.881 -6.598 1.00 31.34 C ATOM 1788 C GLY A 106 7.918 -12.122 -5.393 1.00 2.33 C ATOM 1789 O GLY A 106 7.257 -12.008 -4.363 1.00 44.23 O ATOM 0 H GLY A 106 5.291 -12.716 -6.829 1.00 23.14 H new ATOM 0 HA2 GLY A 106 7.131 -13.912 -6.325 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.092 -12.917 -7.400 1.00 31.34 H new ATOM 1793 N ASP A 107 9.145 -11.610 -5.547 1.00 52.25 N ATOM 1794 CA ASP A 107 9.864 -10.794 -4.562 1.00 15.31 C ATOM 1795 C ASP A 107 9.554 -9.282 -4.693 1.00 53.11 C ATOM 1796 O ASP A 107 10.187 -8.486 -4.000 1.00 64.54 O ATOM 1797 CB ASP A 107 11.397 -11.045 -4.574 1.00 73.33 C ATOM 1798 CG ASP A 107 11.845 -12.514 -4.599 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.495 -13.223 -5.570 1.00 43.31 O ATOM 1800 OD2 ASP A 107 12.607 -12.887 -3.682 1.00 42.41 O1- ATOM 0 H ASP A 107 9.687 -11.760 -6.398 1.00 52.25 H new ATOM 0 HA ASP A 107 9.488 -11.122 -3.593 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.819 -10.544 -5.445 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.828 -10.570 -3.693 1.00 73.33 H new ATOM 1805 N ILE A 108 8.607 -8.901 -5.568 1.00 11.24 N ATOM 1806 CA ILE A 108 8.220 -7.514 -5.850 1.00 74.42 C ATOM 1807 C ILE A 108 6.783 -7.285 -5.332 1.00 20.20 C ATOM 1808 O ILE A 108 5.976 -8.212 -5.361 1.00 10.32 O ATOM 1809 CB ILE A 108 8.202 -7.234 -7.390 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.402 -7.842 -8.161 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.057 -5.734 -7.734 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.783 -7.342 -7.727 1.00 15.22 C ATOM 0 H ILE A 108 8.074 -9.576 -6.116 1.00 11.24 H new ATOM 0 HA ILE A 108 8.941 -6.857 -5.365 1.00 74.42 H new ATOM 0 HB ILE A 108 7.306 -7.752 -7.732 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.374 -8.926 -8.046 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.275 -7.630 -9.223 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.051 -5.608 -8.817 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.123 -5.354 -7.320 1.00 72.23 H new ATOM 0 HG23 ILE A 108 8.894 -5.181 -7.309 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.551 -7.829 -8.328 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.840 -6.263 -7.869 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.941 -7.578 -6.675 1.00 15.22 H new ATOM 1824 N ILE A 109 6.481 -6.045 -4.912 1.00 41.02 N ATOM 1825 CA ILE A 109 5.123 -5.571 -4.633 1.00 74.12 C ATOM 1826 C ILE A 109 4.881 -4.286 -5.448 1.00 72.34 C ATOM 1827 O ILE A 109 5.722 -3.393 -5.411 1.00 74.32 O ATOM 1828 CB ILE A 109 4.910 -5.226 -3.123 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.130 -6.429 -2.181 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.564 -4.534 -2.799 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.140 -7.588 -2.340 1.00 62.41 C ATOM 0 H ILE A 109 7.193 -5.332 -4.755 1.00 41.02 H new ATOM 0 HA ILE A 109 4.431 -6.369 -4.902 1.00 74.12 H new ATOM 0 HB ILE A 109 5.693 -4.493 -2.929 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.138 -6.812 -2.340 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.083 -6.074 -1.151 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.506 -4.334 -1.729 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.496 -3.595 -3.348 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.740 -5.185 -3.091 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.387 -8.378 -1.630 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.128 -7.231 -2.148 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.199 -7.981 -3.355 1.00 62.41 H new ATOM 1843 N THR A 110 3.718 -4.186 -6.112 1.00 52.21 N ATOM 1844 CA THR A 110 3.220 -2.933 -6.691 1.00 55.31 C ATOM 1845 C THR A 110 1.982 -2.480 -5.894 1.00 60.14 C ATOM 1846 O THR A 110 1.171 -3.325 -5.517 1.00 33.00 O ATOM 1847 CB THR A 110 2.815 -3.090 -8.184 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.907 -3.595 -8.925 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.352 -1.792 -8.874 1.00 74.24 C ATOM 0 H THR A 110 3.095 -4.979 -6.262 1.00 52.21 H new ATOM 0 HA THR A 110 4.024 -2.199 -6.637 1.00 55.31 H new ATOM 0 HB THR A 110 1.964 -3.770 -8.170 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.667 -4.463 -9.311 1.00 43.22 H new ATOM 0 HG21 THR A 110 2.091 -2.004 -9.911 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.480 -1.395 -8.355 1.00 74.24 H new ATOM 0 HG23 THR A 110 3.157 -1.058 -8.845 1.00 74.24 H new ATOM 1857 N ASN A 111 1.861 -1.164 -5.657 1.00 41.41 N ATOM 1858 CA ASN A 111 0.726 -0.521 -4.988 1.00 23.41 C ATOM 1859 C ASN A 111 0.321 0.708 -5.802 1.00 62.20 C ATOM 1860 O ASN A 111 1.024 1.714 -5.780 1.00 20.43 O ATOM 1861 CB ASN A 111 1.114 -0.135 -3.538 1.00 72.21 C ATOM 1862 CG ASN A 111 0.784 -1.231 -2.526 1.00 71.22 C ATOM 1863 OD1 ASN A 111 1.655 -1.982 -2.099 1.00 2.22 O ATOM 1864 ND2 ASN A 111 -0.489 -1.314 -2.135 1.00 23.45 N ATOM 0 H ASN A 111 2.579 -0.497 -5.938 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.120 -1.205 -4.929 1.00 23.41 H new ATOM 0 HB2 ASN A 111 2.182 0.081 -3.498 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.593 0.780 -3.259 1.00 72.21 H new ATOM 0 HD21 ASN A 111 -0.769 -2.022 -1.456 1.00 23.45 H new ATOM 0 HD22 ASN A 111 -1.182 -0.670 -2.515 1.00 23.45 H new ATOM 1871 N THR A 112 -0.834 0.599 -6.468 1.00 33.00 N ATOM 1872 CA THR A 112 -1.486 1.676 -7.209 1.00 72.14 C ATOM 1873 C THR A 112 -2.695 2.194 -6.406 1.00 63.23 C ATOM 1874 O THR A 112 -3.333 1.407 -5.709 1.00 44.44 O ATOM 1875 CB THR A 112 -1.990 1.146 -8.579 1.00 60.33 C ATOM 1876 OG1 THR A 112 -0.869 0.715 -9.327 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.771 2.144 -9.458 1.00 12.21 C ATOM 0 H THR A 112 -1.357 -0.276 -6.505 1.00 33.00 H new ATOM 0 HA THR A 112 -0.768 2.480 -7.367 1.00 72.14 H new ATOM 0 HB THR A 112 -2.696 0.355 -8.329 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.167 0.375 -10.196 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.068 1.656 -10.386 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.660 2.481 -8.924 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.138 3.001 -9.686 1.00 12.21 H new ATOM 1885 N MET A 113 -2.993 3.498 -6.531 1.00 11.55 N ATOM 1886 CA MET A 113 -4.197 4.158 -6.013 1.00 52.41 C ATOM 1887 C MET A 113 -4.768 5.106 -7.083 1.00 43.21 C ATOM 1888 O MET A 113 -4.051 5.458 -8.016 1.00 62.25 O ATOM 1889 CB MET A 113 -3.901 4.907 -4.698 1.00 24.04 C ATOM 1890 CG MET A 113 -3.308 4.048 -3.572 1.00 35.13 C ATOM 1891 SD MET A 113 -3.171 4.921 -1.990 1.00 42.04 S ATOM 1892 CE MET A 113 -2.617 3.562 -0.931 1.00 12.50 C ATOM 0 H MET A 113 -2.373 4.146 -7.017 1.00 11.55 H new ATOM 0 HA MET A 113 -4.945 3.398 -5.785 1.00 52.41 H new ATOM 0 HB2 MET A 113 -3.211 5.723 -4.912 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.827 5.358 -4.340 1.00 24.04 H new ATOM 0 HG2 MET A 113 -3.929 3.162 -3.436 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.319 3.701 -3.873 1.00 35.13 H new ATOM 0 HE1 MET A 113 -2.482 3.926 0.087 1.00 12.50 H new ATOM 0 HE2 MET A 113 -3.364 2.769 -0.936 1.00 12.50 H new ATOM 0 HE3 MET A 113 -1.671 3.172 -1.305 1.00 12.50 H new ATOM 1902 N THR A 114 -6.048 5.494 -6.952 1.00 70.23 N ATOM 1903 CA THR A 114 -6.728 6.386 -7.900 1.00 53.04 C ATOM 1904 C THR A 114 -7.791 7.225 -7.176 1.00 72.10 C ATOM 1905 O THR A 114 -8.827 6.680 -6.798 1.00 25.44 O ATOM 1906 CB THR A 114 -7.414 5.612 -9.066 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.457 4.871 -9.797 1.00 22.51 O ATOM 1908 CG2 THR A 114 -8.157 6.508 -10.078 1.00 60.41 C ATOM 0 H THR A 114 -6.642 5.194 -6.179 1.00 70.23 H new ATOM 0 HA THR A 114 -5.957 7.028 -8.325 1.00 53.04 H new ATOM 0 HB THR A 114 -8.148 4.973 -8.575 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.903 4.389 -10.525 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.604 5.887 -10.854 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.940 7.066 -9.564 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.453 7.206 -10.532 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.512 8.531 -7.021 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.357 9.519 -6.351 1.00 55.34 C ATOM 1918 C LEU A 115 -8.786 10.592 -7.360 1.00 64.34 C ATOM 1919 O LEU A 115 -7.985 11.474 -7.670 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.539 10.129 -5.186 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.218 11.260 -4.366 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -9.641 10.916 -3.873 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -7.304 11.724 -3.212 1.00 53.31 C ATOM 0 H LEU A 115 -6.649 8.940 -7.379 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.262 9.061 -5.953 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.275 9.325 -4.500 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.607 10.519 -5.594 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.356 12.092 -5.056 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -10.044 11.757 -3.309 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -10.283 10.712 -4.730 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -9.601 10.036 -3.232 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -7.800 12.516 -2.651 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -7.100 10.883 -2.549 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -6.366 12.100 -3.620 1.00 53.31 H new ATOM 1935 N GLY A 116 -10.036 10.513 -7.846 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.583 11.452 -8.831 1.00 74.52 C ATOM 1937 C GLY A 116 -9.922 11.193 -10.193 1.00 34.22 C ATOM 1938 O GLY A 116 -10.153 10.143 -10.790 1.00 60.22 O ATOM 0 H GLY A 116 -10.697 9.790 -7.562 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.663 11.329 -8.908 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.401 12.479 -8.514 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.094 12.148 -10.650 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.179 12.020 -11.796 1.00 12.31 C ATOM 1944 C ASP A 117 -6.702 11.889 -11.387 1.00 24.33 C ATOM 1945 O ASP A 117 -5.851 11.820 -12.276 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.370 13.150 -12.840 1.00 10.40 C ATOM 1947 CG ASP A 117 -9.593 12.948 -13.736 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -9.674 11.852 -14.333 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -10.345 13.930 -13.915 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.042 13.068 -10.213 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.456 11.080 -12.273 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -8.463 14.103 -12.320 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.478 13.213 -13.464 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.402 11.822 -10.081 1.00 63.44 N ATOM 1955 CA ILE A 118 -5.043 11.641 -9.580 1.00 63.52 C ATOM 1956 C ILE A 118 -4.787 10.141 -9.344 1.00 62.02 C ATOM 1957 O ILE A 118 -5.037 9.624 -8.253 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.779 12.433 -8.266 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.203 13.918 -8.351 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.309 12.322 -7.825 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.558 14.719 -9.492 1.00 63.33 C ATOM 0 H ILE A 118 -7.103 11.893 -9.344 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.359 12.034 -10.332 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.410 11.965 -7.510 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.286 13.964 -8.464 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.960 14.403 -7.406 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -3.162 12.887 -6.905 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -3.059 11.275 -7.652 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.664 12.725 -8.605 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.920 15.747 -9.465 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.474 14.713 -9.374 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.821 14.267 -10.448 1.00 63.33 H new ATOM 1973 N VAL A 119 -4.272 9.474 -10.390 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.695 8.135 -10.285 1.00 40.30 C ATOM 1975 C VAL A 119 -2.316 8.254 -9.611 1.00 12.04 C ATOM 1976 O VAL A 119 -1.518 9.093 -10.021 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.517 7.454 -11.673 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.856 6.059 -11.593 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.860 7.336 -12.414 1.00 31.10 C ATOM 0 H VAL A 119 -4.247 9.856 -11.335 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.378 7.518 -9.701 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.843 8.106 -12.229 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.763 5.642 -12.596 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.867 6.150 -11.145 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.472 5.399 -10.982 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.702 6.856 -13.380 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.552 6.738 -11.821 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -5.280 8.330 -12.567 1.00 31.10 H new ATOM 1989 N PHE A 120 -2.085 7.415 -8.600 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.842 7.290 -7.846 1.00 3.10 C ATOM 1991 C PHE A 120 -0.306 5.870 -8.027 1.00 33.01 C ATOM 1992 O PHE A 120 -1.097 4.941 -8.183 1.00 5.04 O ATOM 1993 CB PHE A 120 -1.156 7.602 -6.372 1.00 54.44 C ATOM 1994 CG PHE A 120 -0.055 7.381 -5.342 1.00 55.23 C ATOM 1995 CD1 PHE A 120 -0.363 6.784 -4.100 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.244 7.888 -5.547 1.00 34.05 C ATOM 1997 CE1 PHE A 120 0.607 6.679 -3.113 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.208 7.748 -4.559 1.00 11.14 C ATOM 1999 CZ PHE A 120 1.887 7.165 -3.342 1.00 21.32 C ATOM 0 H PHE A 120 -2.802 6.770 -8.269 1.00 54.22 H new ATOM 0 HA PHE A 120 -0.078 7.984 -8.196 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.466 8.645 -6.311 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -2.014 6.997 -6.078 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -1.358 6.407 -3.917 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.489 8.386 -6.474 1.00 34.05 H new ATOM 0 HE1 PHE A 120 0.366 6.219 -2.166 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.215 8.095 -4.739 1.00 11.14 H new ATOM 0 HZ PHE A 120 2.637 7.089 -2.569 1.00 21.32 H new ATOM 2009 N LYS A 121 1.022 5.718 -7.996 1.00 52.41 N ATOM 2010 CA LYS A 121 1.667 4.428 -8.186 1.00 73.41 C ATOM 2011 C LYS A 121 2.969 4.375 -7.381 1.00 64.01 C ATOM 2012 O LYS A 121 3.682 5.372 -7.298 1.00 13.03 O ATOM 2013 CB LYS A 121 1.851 4.186 -9.701 1.00 1.55 C ATOM 2014 CG LYS A 121 2.235 2.743 -10.090 1.00 70.32 C ATOM 2015 CD LYS A 121 3.664 2.588 -10.631 1.00 62.43 C ATOM 2016 CE LYS A 121 3.879 3.311 -11.971 1.00 24.15 C ATOM 2017 NZ LYS A 121 5.208 3.045 -12.544 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.673 6.487 -7.839 1.00 52.41 H new ATOM 0 HA LYS A 121 1.051 3.613 -7.806 1.00 73.41 H new ATOM 0 HB2 LYS A 121 0.924 4.449 -10.211 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.621 4.863 -10.071 1.00 1.55 H new ATOM 0 HG2 LYS A 121 2.119 2.102 -9.216 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.534 2.385 -10.844 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.369 2.977 -9.897 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.887 1.528 -10.756 1.00 62.43 H new ATOM 0 HE2 LYS A 121 3.112 2.996 -12.678 1.00 24.15 H new ATOM 0 HE3 LYS A 121 3.757 4.384 -11.825 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 5.305 3.554 -13.446 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 5.942 3.369 -11.883 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 5.317 2.024 -12.709 1.00 62.52 H new ATOM 2031 N ARG A 122 3.231 3.199 -6.795 1.00 1.23 N ATOM 2032 CA ARG A 122 4.435 2.856 -6.046 1.00 45.20 C ATOM 2033 C ARG A 122 4.863 1.437 -6.433 1.00 21.25 C ATOM 2034 O ARG A 122 4.012 0.598 -6.737 1.00 54.25 O ATOM 2035 CB ARG A 122 4.215 2.935 -4.514 1.00 32.24 C ATOM 2036 CG ARG A 122 3.414 4.145 -4.001 1.00 3.01 C ATOM 2037 CD ARG A 122 3.446 4.306 -2.468 1.00 11.54 C ATOM 2038 NE ARG A 122 4.626 5.052 -1.998 1.00 34.20 N ATOM 2039 CZ ARG A 122 5.009 5.194 -0.716 1.00 63.42 C ATOM 2040 NH1 ARG A 122 4.366 4.567 0.281 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 6.045 5.989 -0.427 1.00 34.12 N ATOM 0 H ARG A 122 2.570 2.424 -6.836 1.00 1.23 H new ATOM 0 HA ARG A 122 5.211 3.579 -6.297 1.00 45.20 H new ATOM 0 HB2 ARG A 122 3.704 2.027 -4.195 1.00 32.24 H new ATOM 0 HB3 ARG A 122 5.191 2.940 -4.028 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.808 5.051 -4.461 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.378 4.047 -4.325 1.00 3.01 H new ATOM 0 HD2 ARG A 122 2.542 4.821 -2.142 1.00 11.54 H new ATOM 0 HD3 ARG A 122 3.436 3.320 -2.003 1.00 11.54 H new ATOM 0 HE ARG A 122 5.205 5.501 -2.708 1.00 34.20 H new ATOM 0 HH11 ARG A 122 3.568 3.967 0.075 1.00 43.43 H new ATOM 0 HH12 ARG A 122 4.676 4.691 1.245 1.00 43.43 H new ATOM 0 HH21 ARG A 122 6.535 6.480 -1.175 1.00 34.12 H new ATOM 0 HH22 ARG A 122 6.345 6.105 0.541 1.00 34.12 H new ATOM 2055 N ILE A 123 6.177 1.190 -6.366 1.00 44.02 N ATOM 2056 CA ILE A 123 6.789 -0.126 -6.510 1.00 1.53 C ATOM 2057 C ILE A 123 7.731 -0.310 -5.310 1.00 42.14 C ATOM 2058 O ILE A 123 8.481 0.607 -4.980 1.00 11.14 O ATOM 2059 CB ILE A 123 7.634 -0.261 -7.816 1.00 33.44 C ATOM 2060 CG1 ILE A 123 6.817 0.096 -9.082 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.226 -1.681 -7.973 1.00 11.42 C ATOM 2062 CD1 ILE A 123 7.007 1.548 -9.542 1.00 61.45 C ATOM 0 H ILE A 123 6.862 1.929 -6.205 1.00 44.02 H new ATOM 0 HA ILE A 123 5.999 -0.875 -6.557 1.00 1.53 H new ATOM 0 HB ILE A 123 8.450 0.454 -7.718 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.105 -0.574 -9.892 1.00 44.22 H new ATOM 0 HG13 ILE A 123 5.760 -0.079 -8.884 1.00 44.22 H new ATOM 0 HG21 ILE A 123 8.807 -1.733 -8.894 1.00 11.42 H new ATOM 0 HG22 ILE A 123 8.872 -1.902 -7.123 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.417 -2.410 -8.013 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.406 1.729 -10.433 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.692 2.225 -8.748 1.00 61.45 H new ATOM 0 HD13 ILE A 123 8.058 1.722 -9.772 1.00 61.45 H new ATOM 2074 N SER A 124 7.678 -1.501 -4.706 1.00 22.23 N ATOM 2075 CA SER A 124 8.535 -1.946 -3.611 1.00 32.50 C ATOM 2076 C SER A 124 9.173 -3.295 -3.989 1.00 25.54 C ATOM 2077 O SER A 124 8.638 -4.008 -4.839 1.00 1.51 O ATOM 2078 CB SER A 124 7.690 -2.066 -2.328 1.00 13.10 C ATOM 2079 OG SER A 124 7.344 -0.792 -1.823 1.00 34.43 O ATOM 0 H SER A 124 7.002 -2.213 -4.983 1.00 22.23 H new ATOM 0 HA SER A 124 9.334 -1.227 -3.430 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.784 -2.635 -2.538 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.247 -2.620 -1.573 1.00 13.10 H new ATOM 0 HG SER A 124 6.807 -0.897 -1.010 1.00 34.43 H new ATOM 2085 N LYS A 125 10.306 -3.631 -3.353 1.00 24.13 N ATOM 2086 CA LYS A 125 11.053 -4.864 -3.612 1.00 34.33 C ATOM 2087 C LYS A 125 11.654 -5.393 -2.303 1.00 1.52 C ATOM 2088 O LYS A 125 12.031 -4.598 -1.444 1.00 34.02 O ATOM 2089 CB LYS A 125 12.125 -4.587 -4.688 1.00 65.50 C ATOM 2090 CG LYS A 125 12.801 -5.835 -5.287 1.00 71.15 C ATOM 2091 CD LYS A 125 14.283 -5.993 -4.924 1.00 22.53 C ATOM 2092 CE LYS A 125 14.905 -7.214 -5.616 1.00 0.14 C ATOM 2093 NZ LYS A 125 16.341 -7.333 -5.315 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.732 -3.044 -2.636 1.00 24.13 H new ATOM 0 HA LYS A 125 10.391 -5.641 -3.995 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.664 -4.021 -5.498 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.896 -3.951 -4.253 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.262 -6.721 -4.952 1.00 71.15 H new ATOM 0 HG3 LYS A 125 12.708 -5.797 -6.372 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.827 -5.094 -5.212 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.385 -6.095 -3.844 1.00 22.53 H new ATOM 0 HE2 LYS A 125 14.389 -8.118 -5.294 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.764 -7.134 -6.694 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 16.729 -8.168 -5.798 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 16.837 -6.480 -5.645 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 16.473 -7.435 -4.288 1.00 21.45 H new ATOM 2107 N ARG A 126 11.712 -6.732 -2.185 1.00 63.52 N ATOM 2108 CA ARG A 126 12.112 -7.487 -0.992 1.00 41.42 C ATOM 2109 C ARG A 126 13.505 -7.111 -0.461 1.00 12.11 C ATOM 2110 O ARG A 126 14.440 -6.942 -1.245 1.00 24.21 O ATOM 2111 CB ARG A 126 12.005 -8.998 -1.295 1.00 33.20 C ATOM 2112 CG ARG A 126 12.313 -9.930 -0.105 1.00 73.33 C ATOM 2113 CD ARG A 126 12.195 -11.426 -0.433 1.00 13.21 C ATOM 2114 NE ARG A 126 10.802 -11.868 -0.586 1.00 42.13 N ATOM 2115 CZ ARG A 126 10.417 -13.122 -0.882 1.00 14.43 C ATOM 2116 NH1 ARG A 126 11.312 -14.101 -1.075 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 9.111 -13.401 -0.985 1.00 4.03 N ATOM 0 H ARG A 126 11.467 -7.345 -2.962 1.00 63.52 H new ATOM 0 HA ARG A 126 11.427 -7.221 -0.187 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.997 -9.210 -1.651 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.688 -9.238 -2.110 1.00 33.20 H new ATOM 0 HG2 ARG A 126 13.323 -9.726 0.251 1.00 73.33 H new ATOM 0 HG3 ARG A 126 11.633 -9.694 0.713 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.741 -11.636 -1.353 1.00 13.21 H new ATOM 0 HD3 ARG A 126 12.670 -12.005 0.359 1.00 13.21 H new ATOM 0 HE ARG A 126 10.070 -11.169 -0.458 1.00 42.13 H new ATOM 0 HH11 ARG A 126 12.310 -13.902 -0.998 1.00 70.12 H new ATOM 0 HH12 ARG A 126 10.996 -15.045 -1.299 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.419 -12.666 -0.839 1.00 4.03 H new ATOM 0 HH22 ARG A 126 8.808 -14.349 -1.209 1.00 4.03 H new ATOM 2131 N ILE A 127 13.601 -7.030 0.875 1.00 50.12 N ATOM 2132 CA ILE A 127 14.825 -6.744 1.635 1.00 3.32 C ATOM 2133 C ILE A 127 14.969 -7.890 2.620 1.00 21.41 C ATOM 2134 O ILE A 127 14.945 -9.077 2.289 1.00 22.53 O ATOM 2135 CB ILE A 127 14.772 -5.350 2.333 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.468 -5.086 3.133 1.00 43.04 C ATOM 2137 CG2 ILE A 127 15.045 -4.234 1.309 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.559 -3.925 4.132 1.00 0.24 C ATOM 0 H ILE A 127 12.792 -7.168 1.480 1.00 50.12 H new ATOM 0 HA ILE A 127 15.696 -6.681 0.982 1.00 3.32 H new ATOM 0 HB ILE A 127 15.562 -5.352 3.084 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.660 -4.881 2.430 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.198 -5.993 3.673 1.00 43.04 H new ATOM 0 HG21 ILE A 127 15.005 -3.265 1.807 1.00 2.02 H new ATOM 0 HG22 ILE A 127 16.033 -4.376 0.870 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.290 -4.269 0.523 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.605 -3.812 4.646 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.342 -4.133 4.862 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.796 -3.004 3.599 1.00 0.24 H new TER 2150 ILE A 127