USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1120 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 48 SER OG : rot -89:sc= 1.99 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -9.19! C(o=-7.2!,f=-18!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -174:sc= -0.114 (180deg=-0.273) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -0.531 X(o=-1.6!,f=-1.2) USER MOD Set 2.3: A 63 ASN :FLIP amide:sc= -0.574 F(o=-2.2,f=-1.2) USER MOD Set 3.1: A 42 MET CE :methyl 143:sc= -3.16 (180deg=-5.09!) USER MOD Set 3.2: A 76 THR OG1 : rot 97:sc= 0.62 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-7.9!) USER MOD Set 5.1: A 1 GLN :FLIP amide:sc= -2.84 F(o=-5.1,f=-4.2) USER MOD Set 5.2: A 3 GLN :FLIP amide:sc= -1.32 F(o=-5.1!,f=-4.2) USER MOD Single : A 1 GLN N :NH3+ -129:sc= 0.132 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.22 K(o=0.22,f=-0.84) USER MOD Single : A 29 THR OG1 : rot 101:sc= 0.428 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.32) USER MOD Single : A 37 THR OG1 : rot -39:sc= 1.72 USER MOD Single : A 39 CYS SG : rot -54:sc= -3.7! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= 0.197 (180deg=-1.36) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc=-0.00111 (180deg=-0.141) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.686 K(o=0.69,f=-0.54) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc=-0.00593 (180deg=-0.177) USER MOD Single : A 68 ASN : amide:sc= 0.0748 K(o=0.075,f=-0.47) USER MOD Single : A 81 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.12) USER MOD Single : A 82 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -1.71! (180deg=-2.32!) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= 0.859 (180deg=0.234) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-0.542) USER MOD Single : A 108 SER OG : rot 69:sc= 0.971 USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.06) USER MOD Single : A 111 LYS NZ :NH3+ -139:sc= -1.22 (180deg=-4.22!) USER MOD Single : A 112 MET CE :methyl 170:sc= 0 (180deg=-0.142) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 169:sc= -1.48 (180deg=-1.76) USER MOD Single : A 121 ASN :FLIP amide:sc= -0.0182 F(o=-4.7!,f=-0.018) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 130 LYS NZ :NH3+ 167:sc= -0.0209 (180deg=-0.192) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.458 14.754 -11.861 1.00 0.76 N ATOM 2 CA GLN A 1 -10.396 14.713 -10.836 1.00 0.55 C ATOM 3 C GLN A 1 -9.185 13.980 -11.387 1.00 0.49 C ATOM 4 O GLN A 1 -9.119 13.683 -12.582 1.00 0.60 O ATOM 5 CB GLN A 1 -10.886 14.020 -9.559 1.00 0.52 C ATOM 6 CG GLN A 1 -11.080 12.530 -9.694 1.00 0.69 C ATOM 7 CD GLN A 1 -11.507 11.882 -8.396 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.263 10.804 -8.493 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -11.147 12.336 -7.313 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.793 15.732 -11.975 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.080 14.410 -12.767 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.250 14.149 -11.564 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.123 15.737 -10.583 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.170 14.210 -8.759 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.831 14.471 -9.255 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.831 12.332 -10.459 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.150 12.075 -10.035 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -10.563 13.171 -7.279 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -11.432 11.878 -6.448 1.00 0.88 H new ATOM 20 N LEU A 2 -8.232 13.694 -10.520 1.00 0.39 N ATOM 21 CA LEU A 2 -7.083 12.909 -10.883 1.00 0.36 C ATOM 22 C LEU A 2 -6.939 11.762 -9.887 1.00 0.26 C ATOM 23 O LEU A 2 -7.062 11.966 -8.678 1.00 0.27 O ATOM 24 CB LEU A 2 -5.843 13.820 -10.901 1.00 0.48 C ATOM 25 CG LEU A 2 -4.552 13.206 -10.371 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.005 12.153 -11.327 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.511 14.286 -10.123 1.00 1.32 C ATOM 0 H LEU A 2 -8.239 14.002 -9.548 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.196 12.479 -11.878 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.672 14.146 -11.927 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.064 14.712 -10.315 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.781 12.715 -9.426 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.084 11.735 -10.920 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.740 11.358 -11.452 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.798 12.612 -12.294 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.596 13.830 -9.745 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.298 14.807 -11.056 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.892 14.997 -9.390 1.00 1.32 H new ATOM 39 N GLN A 3 -6.719 10.560 -10.394 1.00 0.24 N ATOM 40 CA GLN A 3 -6.509 9.407 -9.534 1.00 0.22 C ATOM 41 C GLN A 3 -5.190 8.744 -9.874 1.00 0.22 C ATOM 42 O GLN A 3 -4.859 8.584 -11.049 1.00 0.25 O ATOM 43 CB GLN A 3 -7.606 8.352 -9.699 1.00 0.24 C ATOM 44 CG GLN A 3 -9.032 8.877 -9.733 1.00 0.26 C ATOM 45 CD GLN A 3 -10.041 7.753 -9.563 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.640 6.541 -9.922 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.156 7.959 -9.089 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.681 10.358 -11.393 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.520 9.777 -8.509 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.419 7.803 -10.622 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.522 7.637 -8.880 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.169 9.614 -8.941 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.211 9.388 -10.679 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.431 8.905 -8.824 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.807 7.184 -8.961 1.00 0.25 H new ATOM 56 N GLU A 4 -4.439 8.359 -8.864 1.00 0.22 N ATOM 57 CA GLU A 4 -3.249 7.557 -9.086 1.00 0.25 C ATOM 58 C GLU A 4 -3.421 6.222 -8.392 1.00 0.23 C ATOM 59 O GLU A 4 -3.834 6.170 -7.236 1.00 0.27 O ATOM 60 CB GLU A 4 -2.000 8.261 -8.573 1.00 0.30 C ATOM 61 CG GLU A 4 -1.992 9.748 -8.854 1.00 0.28 C ATOM 62 CD GLU A 4 -0.630 10.254 -9.272 1.00 0.51 C ATOM 63 OE1 GLU A 4 -0.223 9.977 -10.421 1.00 0.88 O ATOM 64 OE2 GLU A 4 0.042 10.925 -8.465 1.00 0.75 O ATOM 0 H GLU A 4 -4.627 8.585 -7.887 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.121 7.407 -10.158 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.917 8.101 -7.498 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.121 7.807 -9.031 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.714 9.969 -9.640 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.317 10.284 -7.962 1.00 0.28 H new ATOM 71 N LYS A 5 -3.116 5.146 -9.091 1.00 0.24 N ATOM 72 CA LYS A 5 -3.349 3.822 -8.553 1.00 0.25 C ATOM 73 C LYS A 5 -2.027 3.125 -8.360 1.00 0.25 C ATOM 74 O LYS A 5 -1.300 2.863 -9.319 1.00 0.30 O ATOM 75 CB LYS A 5 -4.233 2.955 -9.462 1.00 0.30 C ATOM 76 CG LYS A 5 -5.360 3.695 -10.175 1.00 0.40 C ATOM 77 CD LYS A 5 -4.870 4.520 -11.356 1.00 0.66 C ATOM 78 CE LYS A 5 -6.021 5.083 -12.173 1.00 1.21 C ATOM 79 NZ LYS A 5 -5.536 5.843 -13.356 1.00 1.43 N ATOM 0 H LYS A 5 -2.709 5.163 -10.026 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.874 3.950 -7.606 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.600 2.482 -10.212 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.668 2.156 -8.862 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.099 2.973 -10.524 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.865 4.350 -9.465 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.248 5.339 -10.993 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.241 3.900 -11.995 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -6.666 4.268 -12.503 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -6.628 5.735 -11.545 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -6.349 6.212 -13.889 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -4.941 6.635 -13.040 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -4.978 5.214 -13.968 1.00 1.43 H new ATOM 93 N LEU A 6 -1.724 2.825 -7.126 1.00 0.23 N ATOM 94 CA LEU A 6 -0.511 2.131 -6.799 1.00 0.25 C ATOM 95 C LEU A 6 -0.871 0.709 -6.411 1.00 0.24 C ATOM 96 O LEU A 6 -1.275 0.435 -5.279 1.00 0.24 O ATOM 97 CB LEU A 6 0.202 2.885 -5.682 1.00 0.26 C ATOM 98 CG LEU A 6 0.277 4.400 -5.918 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.794 5.121 -4.687 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.152 4.716 -7.122 1.00 0.30 C ATOM 0 H LEU A 6 -2.309 3.054 -6.323 1.00 0.23 H new ATOM 0 HA LEU A 6 0.174 2.085 -7.646 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.314 2.697 -4.740 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.213 2.491 -5.576 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.734 4.754 -6.120 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.836 6.192 -4.884 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.125 4.932 -3.847 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.792 4.757 -4.445 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.191 5.795 -7.270 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.159 4.337 -6.949 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.734 4.242 -8.010 1.00 0.30 H new ATOM 112 N TYR A 7 -0.798 -0.175 -7.390 1.00 0.27 N ATOM 113 CA TYR A 7 -1.269 -1.538 -7.230 1.00 0.27 C ATOM 114 C TYR A 7 -0.370 -2.354 -6.329 1.00 0.29 C ATOM 115 O TYR A 7 0.852 -2.340 -6.471 1.00 0.38 O ATOM 116 CB TYR A 7 -1.384 -2.235 -8.589 1.00 0.32 C ATOM 117 CG TYR A 7 -2.708 -2.045 -9.283 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.967 -0.879 -9.989 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.701 -3.014 -9.224 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.174 -0.684 -10.624 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.914 -2.827 -9.859 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.150 -1.730 -10.565 1.00 0.56 C ATOM 123 OH TYR A 7 -6.346 -1.468 -11.195 1.00 0.69 O ATOM 0 H TYR A 7 -0.413 0.030 -8.312 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.252 -1.474 -6.763 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.592 -1.866 -9.240 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.211 -3.302 -8.451 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.209 -0.111 -10.042 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.523 -3.926 -8.674 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.379 0.235 -11.153 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.680 -3.584 -9.779 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.942 -2.240 -11.099 1.00 0.69 H new ATOM 133 N VAL A 8 -0.992 -3.066 -5.413 1.00 0.24 N ATOM 134 CA VAL A 8 -0.314 -4.074 -4.634 1.00 0.26 C ATOM 135 C VAL A 8 -1.061 -5.378 -4.815 1.00 0.26 C ATOM 136 O VAL A 8 -2.177 -5.531 -4.335 1.00 0.26 O ATOM 137 CB VAL A 8 -0.260 -3.700 -3.137 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.828 -2.677 -2.871 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.612 -3.174 -2.670 1.00 1.27 C ATOM 0 H VAL A 8 -1.982 -2.960 -5.189 1.00 0.24 H new ATOM 0 HA VAL A 8 0.716 -4.162 -4.978 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.023 -4.601 -2.572 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.844 -2.431 -1.809 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.794 -3.089 -3.163 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.628 -1.775 -3.449 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.556 -2.915 -1.613 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.877 -2.288 -3.247 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.371 -3.942 -2.816 1.00 1.27 H new ATOM 149 N PRO A 9 -0.462 -6.352 -5.493 1.00 0.32 N ATOM 150 CA PRO A 9 -1.186 -7.546 -5.882 1.00 0.37 C ATOM 151 C PRO A 9 -1.451 -8.443 -4.687 1.00 0.34 C ATOM 152 O PRO A 9 -0.620 -9.263 -4.301 1.00 0.35 O ATOM 153 CB PRO A 9 -0.264 -8.204 -6.901 1.00 0.44 C ATOM 154 CG PRO A 9 1.105 -7.761 -6.515 1.00 0.43 C ATOM 155 CD PRO A 9 0.952 -6.391 -5.899 1.00 0.39 C ATOM 0 HA PRO A 9 -2.173 -7.334 -6.293 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.352 -9.290 -6.871 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.509 -7.892 -7.916 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.553 -8.458 -5.806 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.761 -7.725 -7.385 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.618 -6.258 -5.047 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.186 -5.602 -6.613 1.00 0.39 H new ATOM 163 N VAL A 10 -2.607 -8.248 -4.085 1.00 0.34 N ATOM 164 CA VAL A 10 -2.976 -8.972 -2.885 1.00 0.36 C ATOM 165 C VAL A 10 -3.192 -10.450 -3.209 1.00 0.43 C ATOM 166 O VAL A 10 -3.144 -11.311 -2.333 1.00 0.47 O ATOM 167 CB VAL A 10 -4.228 -8.349 -2.232 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.509 -8.778 -2.932 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.279 -8.648 -0.741 1.00 0.52 C ATOM 0 H VAL A 10 -3.313 -7.588 -4.411 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.161 -8.898 -2.165 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.149 -7.268 -2.351 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.365 -8.316 -2.440 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.477 -8.463 -3.975 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.604 -9.863 -2.884 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.172 -8.196 -0.310 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.308 -9.727 -0.587 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.394 -8.236 -0.257 1.00 0.52 H new ATOM 179 N LYS A 11 -3.432 -10.732 -4.489 1.00 0.49 N ATOM 180 CA LYS A 11 -3.455 -12.104 -4.979 1.00 0.58 C ATOM 181 C LYS A 11 -2.066 -12.719 -4.865 1.00 0.53 C ATOM 182 O LYS A 11 -1.908 -13.897 -4.548 1.00 0.60 O ATOM 183 CB LYS A 11 -3.895 -12.165 -6.441 1.00 0.72 C ATOM 184 CG LYS A 11 -5.366 -11.886 -6.670 1.00 1.27 C ATOM 185 CD LYS A 11 -5.777 -12.306 -8.073 1.00 1.76 C ATOM 186 CE LYS A 11 -7.280 -12.223 -8.274 1.00 2.24 C ATOM 187 NZ LYS A 11 -7.689 -12.753 -9.600 1.00 2.93 N ATOM 0 H LYS A 11 -3.613 -10.027 -5.203 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.168 -12.659 -4.370 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.309 -11.446 -7.013 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.661 -13.153 -6.836 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.963 -12.424 -5.934 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.567 -10.824 -6.529 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -5.278 -11.669 -8.803 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -5.442 -13.327 -8.259 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -7.784 -12.784 -7.487 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -7.602 -11.186 -8.182 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -8.722 -12.679 -9.700 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -7.228 -12.201 -10.352 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -7.404 -13.750 -9.678 1.00 2.93 H new ATOM 201 N GLU A 12 -1.061 -11.891 -5.117 1.00 0.45 N ATOM 202 CA GLU A 12 0.325 -12.327 -5.107 1.00 0.44 C ATOM 203 C GLU A 12 0.808 -12.548 -3.687 1.00 0.39 C ATOM 204 O GLU A 12 1.699 -13.361 -3.436 1.00 0.43 O ATOM 205 CB GLU A 12 1.207 -11.292 -5.793 1.00 0.46 C ATOM 206 CG GLU A 12 0.930 -11.150 -7.283 1.00 0.60 C ATOM 207 CD GLU A 12 1.020 -12.464 -8.030 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.138 -13.000 -8.167 1.00 0.97 O ATOM 209 OE2 GLU A 12 -0.027 -12.964 -8.486 1.00 0.96 O ATOM 0 H GLU A 12 -1.185 -10.902 -5.333 1.00 0.45 H new ATOM 0 HA GLU A 12 0.389 -13.270 -5.649 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.062 -10.325 -5.311 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.252 -11.565 -5.650 1.00 0.46 H new ATOM 0 HG2 GLU A 12 -0.064 -10.726 -7.423 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.641 -10.444 -7.713 1.00 0.60 H new ATOM 216 N TYR A 13 0.208 -11.813 -2.763 1.00 0.34 N ATOM 217 CA TYR A 13 0.576 -11.900 -1.362 1.00 0.35 C ATOM 218 C TYR A 13 -0.651 -12.180 -0.510 1.00 0.39 C ATOM 219 O TYR A 13 -1.184 -11.284 0.134 1.00 0.40 O ATOM 220 CB TYR A 13 1.250 -10.603 -0.909 1.00 0.34 C ATOM 221 CG TYR A 13 2.356 -10.172 -1.834 1.00 0.35 C ATOM 222 CD1 TYR A 13 3.641 -10.663 -1.670 1.00 0.44 C ATOM 223 CD2 TYR A 13 2.124 -9.265 -2.854 1.00 0.34 C ATOM 224 CE1 TYR A 13 4.671 -10.260 -2.489 1.00 0.48 C ATOM 225 CE2 TYR A 13 3.149 -8.853 -3.688 1.00 0.40 C ATOM 226 CZ TYR A 13 4.373 -9.398 -3.580 1.00 0.46 C ATOM 227 OH TYR A 13 5.448 -8.954 -4.323 1.00 0.53 O ATOM 0 H TYR A 13 -0.539 -11.147 -2.962 1.00 0.34 H new ATOM 0 HA TYR A 13 1.281 -12.722 -1.238 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.503 -9.812 -0.848 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.653 -10.739 0.095 1.00 0.34 H new ATOM 0 HD1 TYR A 13 3.838 -11.376 -0.884 1.00 0.44 H new ATOM 0 HD2 TYR A 13 1.128 -8.873 -3.001 1.00 0.34 H new ATOM 0 HE1 TYR A 13 5.683 -10.591 -2.307 1.00 0.48 H new ATOM 0 HE2 TYR A 13 2.964 -8.090 -4.429 1.00 0.40 H new ATOM 0 HH TYR A 13 5.129 -8.372 -5.044 1.00 0.53 H new ATOM 237 N PRO A 14 -1.128 -13.429 -0.512 1.00 0.47 N ATOM 238 CA PRO A 14 -2.330 -13.812 0.228 1.00 0.55 C ATOM 239 C PRO A 14 -2.106 -13.767 1.734 1.00 0.59 C ATOM 240 O PRO A 14 -3.047 -13.599 2.512 1.00 0.68 O ATOM 241 CB PRO A 14 -2.603 -15.251 -0.232 1.00 0.64 C ATOM 242 CG PRO A 14 -1.731 -15.463 -1.425 1.00 0.75 C ATOM 243 CD PRO A 14 -0.547 -14.569 -1.231 1.00 0.52 C ATOM 0 HA PRO A 14 -3.161 -13.133 0.036 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.369 -15.966 0.557 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.654 -15.389 -0.485 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.424 -16.506 -1.504 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.261 -15.216 -2.345 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.239 -15.056 -0.654 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.105 -14.268 -2.181 1.00 0.52 H new ATOM 251 N ASP A 15 -0.848 -13.906 2.135 1.00 0.57 N ATOM 252 CA ASP A 15 -0.486 -13.884 3.548 1.00 0.67 C ATOM 253 C ASP A 15 -0.228 -12.453 4.008 1.00 0.62 C ATOM 254 O ASP A 15 -0.194 -12.169 5.206 1.00 0.76 O ATOM 255 CB ASP A 15 0.755 -14.755 3.784 1.00 0.78 C ATOM 256 CG ASP A 15 1.194 -14.790 5.238 1.00 1.64 C ATOM 257 OD1 ASP A 15 0.483 -15.398 6.064 1.00 2.43 O ATOM 258 OD2 ASP A 15 2.246 -14.199 5.565 1.00 2.15 O ATOM 0 H ASP A 15 -0.060 -14.035 1.501 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.314 -14.288 4.130 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.547 -15.771 3.450 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.576 -14.380 3.172 1.00 0.78 H new ATOM 263 N PHE A 16 -0.100 -11.541 3.053 1.00 0.48 N ATOM 264 CA PHE A 16 0.123 -10.144 3.377 1.00 0.43 C ATOM 265 C PHE A 16 -1.114 -9.339 3.024 1.00 0.37 C ATOM 266 O PHE A 16 -1.390 -9.078 1.856 1.00 0.36 O ATOM 267 CB PHE A 16 1.335 -9.590 2.634 1.00 0.41 C ATOM 268 CG PHE A 16 1.896 -8.353 3.277 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.839 -8.455 4.286 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.484 -7.093 2.877 1.00 0.34 C ATOM 271 CE1 PHE A 16 3.357 -7.324 4.886 1.00 0.56 C ATOM 272 CE2 PHE A 16 2.000 -5.959 3.471 1.00 0.36 C ATOM 273 CZ PHE A 16 2.941 -6.074 4.474 1.00 0.49 C ATOM 0 H PHE A 16 -0.147 -11.745 2.055 1.00 0.48 H new ATOM 0 HA PHE A 16 0.321 -10.066 4.446 1.00 0.43 H new ATOM 0 HB2 PHE A 16 2.110 -10.355 2.591 1.00 0.41 H new ATOM 0 HB3 PHE A 16 1.053 -9.364 1.606 1.00 0.41 H new ATOM 0 HD1 PHE A 16 3.173 -9.430 4.607 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.750 -6.996 2.091 1.00 0.34 H new ATOM 0 HE1 PHE A 16 4.087 -7.418 5.677 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.668 -4.982 3.151 1.00 0.36 H new ATOM 0 HZ PHE A 16 3.351 -5.188 4.936 1.00 0.49 H new ATOM 283 N ASN A 17 -1.854 -8.932 4.037 1.00 0.37 N ATOM 284 CA ASN A 17 -3.058 -8.159 3.814 1.00 0.35 C ATOM 285 C ASN A 17 -2.727 -6.682 3.726 1.00 0.30 C ATOM 286 O ASN A 17 -2.524 -6.027 4.733 1.00 0.30 O ATOM 287 CB ASN A 17 -4.119 -8.429 4.899 1.00 0.45 C ATOM 288 CG ASN A 17 -3.584 -8.523 6.331 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.085 -9.312 7.130 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.602 -7.713 6.689 1.00 0.71 N ATOM 0 H ASN A 17 -1.644 -9.123 5.017 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.488 -8.474 2.863 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.865 -7.635 4.859 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.631 -9.361 4.659 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.245 -7.735 7.644 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.201 -7.066 6.010 1.00 0.71 H new ATOM 297 N PHE A 18 -2.648 -6.161 2.513 1.00 0.28 N ATOM 298 CA PHE A 18 -2.304 -4.761 2.323 1.00 0.26 C ATOM 299 C PHE A 18 -3.295 -3.840 3.033 1.00 0.27 C ATOM 300 O PHE A 18 -2.907 -2.830 3.594 1.00 0.27 O ATOM 301 CB PHE A 18 -2.193 -4.434 0.840 1.00 0.24 C ATOM 302 CG PHE A 18 -1.054 -5.168 0.198 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.237 -4.873 0.582 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.261 -6.155 -0.760 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.307 -5.533 0.033 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.184 -6.824 -1.323 1.00 0.25 C ATOM 307 CZ PHE A 18 1.101 -6.509 -0.920 1.00 0.25 C ATOM 0 H PHE A 18 -2.816 -6.681 1.651 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.329 -4.587 2.778 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.125 -4.696 0.338 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.053 -3.361 0.713 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.409 -4.110 1.327 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.266 -6.402 -1.067 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.311 -5.288 0.347 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.348 -7.586 -2.071 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.944 -7.028 -1.352 1.00 0.25 H new ATOM 317 N VAL A 19 -4.566 -4.203 3.034 1.00 0.31 N ATOM 318 CA VAL A 19 -5.559 -3.484 3.812 1.00 0.32 C ATOM 319 C VAL A 19 -5.347 -3.684 5.308 1.00 0.29 C ATOM 320 O VAL A 19 -5.403 -2.731 6.070 1.00 0.27 O ATOM 321 CB VAL A 19 -6.986 -3.894 3.417 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.368 -3.240 2.099 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.112 -5.409 3.318 1.00 1.13 C ATOM 0 H VAL A 19 -4.935 -4.993 2.504 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.433 -2.425 3.588 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.670 -3.552 4.193 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.381 -3.536 1.826 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.322 -2.156 2.204 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.675 -3.559 1.320 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.132 -5.672 3.037 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.420 -5.783 2.564 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.874 -5.858 4.283 1.00 1.13 H new ATOM 333 N GLY A 20 -5.074 -4.910 5.723 1.00 0.33 N ATOM 334 CA GLY A 20 -4.771 -5.166 7.124 1.00 0.35 C ATOM 335 C GLY A 20 -3.457 -4.532 7.543 1.00 0.32 C ATOM 336 O GLY A 20 -3.149 -4.434 8.724 1.00 0.38 O ATOM 0 H GLY A 20 -5.055 -5.733 5.121 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.577 -4.777 7.747 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.726 -6.242 7.295 1.00 0.35 H new ATOM 340 N ARG A 21 -2.689 -4.110 6.555 1.00 0.29 N ATOM 341 CA ARG A 21 -1.412 -3.450 6.771 1.00 0.32 C ATOM 342 C ARG A 21 -1.577 -1.934 6.761 1.00 0.31 C ATOM 343 O ARG A 21 -1.022 -1.233 7.609 1.00 0.39 O ATOM 344 CB ARG A 21 -0.426 -3.896 5.679 1.00 0.33 C ATOM 345 CG ARG A 21 0.644 -2.872 5.325 1.00 0.56 C ATOM 346 CD ARG A 21 1.927 -3.079 6.110 1.00 0.52 C ATOM 347 NE ARG A 21 1.755 -2.877 7.552 1.00 1.51 N ATOM 348 CZ ARG A 21 2.461 -3.522 8.480 1.00 2.26 C ATOM 349 NH1 ARG A 21 3.361 -4.431 8.124 1.00 2.34 N ATOM 350 NH2 ARG A 21 2.267 -3.259 9.767 1.00 3.20 N ATOM 0 H ARG A 21 -2.935 -4.216 5.571 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.022 -3.732 7.749 1.00 0.32 H new ATOM 0 HB2 ARG A 21 0.064 -4.814 6.005 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -0.989 -4.138 4.778 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.861 -2.931 4.258 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.261 -1.870 5.518 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.297 -4.089 5.932 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.688 -2.391 5.740 1.00 0.52 H new ATOM 0 HE ARG A 21 1.054 -2.204 7.863 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.514 -4.638 7.137 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.899 -4.922 8.838 1.00 2.34 H new ATOM 0 HH21 ARG A 21 1.577 -2.562 10.047 1.00 3.20 H new ATOM 0 HH22 ARG A 21 2.808 -3.754 10.476 1.00 3.20 H new ATOM 364 N ILE A 22 -2.349 -1.436 5.804 1.00 0.27 N ATOM 365 CA ILE A 22 -2.481 -0.007 5.595 1.00 0.31 C ATOM 366 C ILE A 22 -3.635 0.550 6.413 1.00 0.28 C ATOM 367 O ILE A 22 -3.543 1.629 6.992 1.00 0.32 O ATOM 368 CB ILE A 22 -2.695 0.303 4.096 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.488 -0.157 3.274 1.00 0.51 C ATOM 370 CG2 ILE A 22 -2.959 1.780 3.865 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.166 0.391 3.764 1.00 0.99 C ATOM 0 H ILE A 22 -2.895 -2.007 5.159 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.559 0.472 5.924 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.576 -0.249 3.768 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.446 -1.246 3.288 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.632 0.144 2.236 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.105 1.961 2.800 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.854 2.079 4.410 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.108 2.361 4.219 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.639 0.019 3.130 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.186 1.480 3.724 1.00 0.99 H new ATOM 0 HD13 ILE A 22 0.003 0.069 4.792 1.00 0.99 H new ATOM 383 N LEU A 23 -4.713 -0.209 6.459 1.00 0.30 N ATOM 384 CA LEU A 23 -5.938 0.215 7.121 1.00 0.35 C ATOM 385 C LEU A 23 -6.031 -0.412 8.502 1.00 0.37 C ATOM 386 O LEU A 23 -6.551 0.196 9.437 1.00 0.47 O ATOM 387 CB LEU A 23 -7.169 -0.222 6.314 1.00 0.59 C ATOM 388 CG LEU A 23 -7.393 0.430 4.940 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.163 0.333 4.058 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.549 -0.252 4.246 1.00 1.15 C ATOM 0 H LEU A 23 -4.767 -1.137 6.040 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.915 1.302 7.200 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.108 -1.300 6.167 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -8.053 -0.033 6.923 1.00 0.59 H new ATOM 0 HG LEU A 23 -7.608 1.486 5.105 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -6.366 0.806 3.097 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -5.327 0.838 4.542 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -5.910 -0.715 3.900 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.711 0.208 3.271 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -8.322 -1.310 4.115 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.450 -0.147 4.851 1.00 1.15 H new ATOM 402 N GLY A 24 -5.518 -1.636 8.595 1.00 0.35 N ATOM 403 CA GLY A 24 -5.649 -2.454 9.789 1.00 0.45 C ATOM 404 C GLY A 24 -5.326 -1.731 11.090 1.00 0.56 C ATOM 405 O GLY A 24 -6.223 -1.197 11.741 1.00 0.70 O ATOM 0 H GLY A 24 -4.999 -2.086 7.841 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.669 -2.834 9.843 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -4.991 -3.318 9.696 1.00 0.45 H new ATOM 409 N PRO A 25 -4.061 -1.722 11.519 1.00 0.59 N ATOM 410 CA PRO A 25 -3.655 -1.027 12.724 1.00 0.74 C ATOM 411 C PRO A 25 -3.201 0.401 12.440 1.00 0.75 C ATOM 412 O PRO A 25 -3.109 1.231 13.345 1.00 0.90 O ATOM 413 CB PRO A 25 -2.485 -1.872 13.231 1.00 0.85 C ATOM 414 CG PRO A 25 -1.964 -2.626 12.040 1.00 0.77 C ATOM 415 CD PRO A 25 -2.930 -2.416 10.896 1.00 0.57 C ATOM 0 HA PRO A 25 -4.471 -0.927 13.440 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.708 -1.241 13.663 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -2.810 -2.557 14.014 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -0.970 -2.271 11.769 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.872 -3.687 12.271 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.484 -1.820 10.100 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.237 -3.363 10.452 1.00 0.57 H new ATOM 423 N ARG A 26 -2.927 0.686 11.174 1.00 0.64 N ATOM 424 CA ARG A 26 -2.348 1.964 10.790 1.00 0.71 C ATOM 425 C ARG A 26 -3.293 2.749 9.882 1.00 0.59 C ATOM 426 O ARG A 26 -2.902 3.754 9.296 1.00 0.63 O ATOM 427 CB ARG A 26 -1.006 1.731 10.083 1.00 0.88 C ATOM 428 CG ARG A 26 -0.127 2.969 9.992 1.00 1.34 C ATOM 429 CD ARG A 26 0.326 3.426 11.364 1.00 1.33 C ATOM 430 NE ARG A 26 1.050 4.691 11.311 1.00 1.92 N ATOM 431 CZ ARG A 26 1.063 5.579 12.300 1.00 2.49 C ATOM 432 NH1 ARG A 26 0.432 5.317 13.441 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.717 6.724 12.152 1.00 3.43 N ATOM 0 H ARG A 26 -3.097 0.048 10.396 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.186 2.553 11.693 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -0.460 0.950 10.612 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.198 1.360 9.076 1.00 0.88 H new ATOM 0 HG2 ARG A 26 0.744 2.754 9.372 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -0.677 3.773 9.502 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.542 3.533 12.015 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.965 2.662 11.807 1.00 1.33 H new ATOM 0 HE ARG A 26 1.577 4.907 10.465 1.00 1.92 H new ATOM 0 HH11 ARG A 26 -0.063 4.433 13.559 1.00 2.67 H new ATOM 0 HH12 ARG A 26 0.443 6.000 14.199 1.00 2.67 H new ATOM 0 HH21 ARG A 26 2.209 6.922 11.280 1.00 3.43 H new ATOM 0 HH22 ARG A 26 1.728 7.407 12.910 1.00 3.43 H new ATOM 447 N GLY A 27 -4.551 2.311 9.801 1.00 0.54 N ATOM 448 CA GLY A 27 -5.523 2.945 8.913 1.00 0.56 C ATOM 449 C GLY A 27 -5.704 4.425 9.176 1.00 0.58 C ATOM 450 O GLY A 27 -6.254 5.155 8.339 1.00 0.56 O ATOM 0 H GLY A 27 -4.918 1.524 10.337 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.206 2.804 7.880 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.485 2.444 9.023 1.00 0.56 H new ATOM 454 N LEU A 28 -5.259 4.859 10.348 1.00 0.64 N ATOM 455 CA LEU A 28 -5.230 6.269 10.689 1.00 0.68 C ATOM 456 C LEU A 28 -4.592 7.067 9.563 1.00 0.58 C ATOM 457 O LEU A 28 -5.059 8.154 9.232 1.00 0.55 O ATOM 458 CB LEU A 28 -4.442 6.488 11.980 1.00 0.82 C ATOM 459 CG LEU A 28 -5.023 5.814 13.223 1.00 1.46 C ATOM 460 CD1 LEU A 28 -4.079 5.972 14.407 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.389 6.400 13.547 1.00 2.25 C ATOM 0 H LEU A 28 -4.910 4.244 11.084 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.255 6.609 10.836 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -3.425 6.124 11.832 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.373 7.560 12.167 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.140 4.750 13.020 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -4.509 5.486 15.283 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -3.119 5.512 14.171 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -3.932 7.032 14.616 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -6.793 5.912 14.434 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -6.291 7.469 13.734 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -7.063 6.239 12.706 1.00 2.25 H new ATOM 473 N THR A 29 -3.556 6.495 8.948 1.00 0.56 N ATOM 474 CA THR A 29 -2.816 7.186 7.909 1.00 0.52 C ATOM 475 C THR A 29 -3.726 7.554 6.741 1.00 0.42 C ATOM 476 O THR A 29 -3.748 8.701 6.324 1.00 0.41 O ATOM 477 CB THR A 29 -1.603 6.348 7.413 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.816 7.116 6.500 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.037 5.054 6.732 1.00 0.48 C ATOM 0 H THR A 29 -3.216 5.556 9.156 1.00 0.56 H new ATOM 0 HA THR A 29 -2.428 8.106 8.347 1.00 0.52 H new ATOM 0 HB THR A 29 -1.014 6.087 8.292 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.027 7.467 6.963 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.156 4.503 6.403 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.604 4.445 7.436 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.662 5.288 5.870 1.00 0.48 H new ATOM 487 N ALA A 30 -4.559 6.618 6.296 1.00 0.39 N ATOM 488 CA ALA A 30 -5.415 6.856 5.139 1.00 0.34 C ATOM 489 C ALA A 30 -6.385 7.985 5.433 1.00 0.32 C ATOM 490 O ALA A 30 -6.588 8.893 4.619 1.00 0.28 O ATOM 491 CB ALA A 30 -6.164 5.587 4.765 1.00 0.38 C ATOM 0 H ALA A 30 -4.659 5.694 6.716 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.792 7.146 4.293 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.798 5.781 3.900 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.449 4.801 4.522 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.782 5.269 5.604 1.00 0.38 H new ATOM 497 N LYS A 31 -6.947 7.937 6.630 1.00 0.38 N ATOM 498 CA LYS A 31 -7.874 8.952 7.084 1.00 0.41 C ATOM 499 C LYS A 31 -7.193 10.309 7.177 1.00 0.38 C ATOM 500 O LYS A 31 -7.776 11.336 6.832 1.00 0.39 O ATOM 501 CB LYS A 31 -8.412 8.566 8.453 1.00 0.49 C ATOM 502 CG LYS A 31 -9.398 7.403 8.428 1.00 1.16 C ATOM 503 CD LYS A 31 -9.928 7.085 9.820 1.00 1.63 C ATOM 504 CE LYS A 31 -8.961 6.216 10.607 1.00 2.36 C ATOM 505 NZ LYS A 31 -9.057 4.782 10.219 1.00 3.09 N ATOM 0 H LYS A 31 -6.772 7.196 7.309 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.690 9.022 6.364 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -7.575 8.305 9.100 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.900 9.433 8.898 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.231 7.646 7.768 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -8.910 6.521 8.014 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.106 8.014 10.362 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.888 6.576 9.736 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -7.942 6.568 10.444 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -9.167 6.318 11.673 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -8.381 4.225 10.779 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -10.022 4.438 10.398 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -8.835 4.680 9.208 1.00 3.09 H new ATOM 519 N GLN A 32 -5.954 10.309 7.646 1.00 0.38 N ATOM 520 CA GLN A 32 -5.218 11.549 7.818 1.00 0.40 C ATOM 521 C GLN A 32 -4.851 12.149 6.473 1.00 0.32 C ATOM 522 O GLN A 32 -4.811 13.364 6.325 1.00 0.33 O ATOM 523 CB GLN A 32 -3.955 11.336 8.658 1.00 0.47 C ATOM 524 CG GLN A 32 -4.236 10.869 10.075 1.00 0.55 C ATOM 525 CD GLN A 32 -5.307 11.694 10.756 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.021 12.699 11.404 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.552 11.267 10.617 1.00 0.64 N ATOM 0 H GLN A 32 -5.441 9.469 7.912 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.869 12.244 8.349 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.319 10.602 8.162 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.394 12.270 8.697 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.545 9.824 10.055 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.317 10.919 10.659 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.745 10.428 10.070 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.318 11.777 11.056 1.00 0.64 H new ATOM 536 N LEU A 33 -4.597 11.303 5.487 1.00 0.28 N ATOM 537 CA LEU A 33 -4.195 11.792 4.178 1.00 0.25 C ATOM 538 C LEU A 33 -5.322 12.585 3.548 1.00 0.21 C ATOM 539 O LEU A 33 -5.099 13.677 3.047 1.00 0.22 O ATOM 540 CB LEU A 33 -3.778 10.645 3.250 1.00 0.28 C ATOM 541 CG LEU A 33 -2.833 9.604 3.862 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.200 8.741 2.782 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.770 10.265 4.728 1.00 1.61 C ATOM 0 H LEU A 33 -4.661 10.288 5.566 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.330 12.441 4.318 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.678 10.134 2.907 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.298 11.071 2.369 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.426 8.954 4.505 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.534 8.011 3.243 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.981 8.221 2.228 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.630 9.372 2.100 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.116 9.501 5.148 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.182 10.953 4.120 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.250 10.815 5.537 1.00 1.61 H new ATOM 555 N GLU A 34 -6.540 12.078 3.621 1.00 0.21 N ATOM 556 CA GLU A 34 -7.663 12.799 3.031 1.00 0.25 C ATOM 557 C GLU A 34 -8.001 14.027 3.856 1.00 0.29 C ATOM 558 O GLU A 34 -8.369 15.072 3.320 1.00 0.33 O ATOM 559 CB GLU A 34 -8.889 11.904 2.863 1.00 0.31 C ATOM 560 CG GLU A 34 -9.282 11.133 4.111 1.00 0.38 C ATOM 561 CD GLU A 34 -10.542 10.315 3.913 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.647 10.858 4.100 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.432 9.121 3.554 1.00 0.63 O ATOM 0 H GLU A 34 -6.778 11.193 4.070 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.359 13.121 2.035 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.733 12.520 2.551 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.697 11.194 2.058 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.465 10.472 4.399 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.431 11.832 4.934 1.00 0.38 H new ATOM 570 N ALA A 35 -7.857 13.897 5.162 1.00 0.30 N ATOM 571 CA ALA A 35 -8.112 15.002 6.068 1.00 0.36 C ATOM 572 C ALA A 35 -7.108 16.138 5.876 1.00 0.35 C ATOM 573 O ALA A 35 -7.486 17.307 5.845 1.00 0.42 O ATOM 574 CB ALA A 35 -8.086 14.513 7.508 1.00 0.40 C ATOM 0 H ALA A 35 -7.564 13.034 5.620 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.102 15.397 5.839 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.278 15.349 8.180 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.853 13.752 7.648 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.108 14.087 7.730 1.00 0.40 H new ATOM 580 N GLU A 36 -5.836 15.791 5.722 1.00 0.30 N ATOM 581 CA GLU A 36 -4.775 16.790 5.666 1.00 0.34 C ATOM 582 C GLU A 36 -4.441 17.208 4.232 1.00 0.31 C ATOM 583 O GLU A 36 -4.414 18.400 3.919 1.00 0.41 O ATOM 584 CB GLU A 36 -3.510 16.259 6.349 1.00 0.38 C ATOM 585 CG GLU A 36 -3.709 15.860 7.805 1.00 0.74 C ATOM 586 CD GLU A 36 -4.240 16.992 8.658 1.00 1.25 C ATOM 587 OE1 GLU A 36 -3.504 17.978 8.872 1.00 1.69 O ATOM 588 OE2 GLU A 36 -5.394 16.899 9.128 1.00 1.73 O ATOM 0 H GLU A 36 -5.514 14.827 5.634 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.142 17.671 6.192 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.146 15.395 5.793 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.734 17.022 6.296 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.400 15.019 7.855 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.759 15.517 8.216 1.00 0.74 H new ATOM 595 N THR A 37 -4.190 16.237 3.355 1.00 0.24 N ATOM 596 CA THR A 37 -3.677 16.543 2.022 1.00 0.26 C ATOM 597 C THR A 37 -4.785 17.049 1.107 1.00 0.28 C ATOM 598 O THR A 37 -4.527 17.766 0.138 1.00 0.35 O ATOM 599 CB THR A 37 -2.994 15.325 1.351 1.00 0.28 C ATOM 600 OG1 THR A 37 -3.970 14.384 0.900 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.041 14.637 2.317 1.00 0.29 C ATOM 0 H THR A 37 -4.332 15.244 3.540 1.00 0.24 H new ATOM 0 HA THR A 37 -2.928 17.322 2.164 1.00 0.26 H new ATOM 0 HB THR A 37 -2.428 15.694 0.496 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.690 14.318 1.561 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.574 13.785 1.823 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.271 15.341 2.632 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.595 14.291 3.190 1.00 0.29 H new ATOM 609 N GLY A 38 -6.019 16.680 1.425 1.00 0.28 N ATOM 610 CA GLY A 38 -7.139 16.997 0.562 1.00 0.35 C ATOM 611 C GLY A 38 -7.376 15.903 -0.451 1.00 0.35 C ATOM 612 O GLY A 38 -8.344 15.936 -1.207 1.00 0.44 O ATOM 0 H GLY A 38 -6.264 16.164 2.270 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.036 17.139 1.164 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.949 17.938 0.046 1.00 0.35 H new ATOM 616 N CYS A 39 -6.487 14.922 -0.456 1.00 0.29 N ATOM 617 CA CYS A 39 -6.644 13.763 -1.305 1.00 0.26 C ATOM 618 C CYS A 39 -7.255 12.633 -0.530 1.00 0.35 C ATOM 619 O CYS A 39 -6.673 12.136 0.433 1.00 0.73 O ATOM 620 CB CYS A 39 -5.304 13.317 -1.868 1.00 0.37 C ATOM 621 SG CYS A 39 -5.421 11.888 -2.962 1.00 1.29 S ATOM 0 H CYS A 39 -5.647 14.910 0.123 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.300 14.038 -2.131 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.854 14.146 -2.414 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.634 13.078 -1.042 1.00 0.37 H new ATOM 0 HG CYS A 39 -6.035 10.921 -2.348 1.00 1.29 H new ATOM 627 N LYS A 40 -8.408 12.200 -0.976 1.00 0.28 N ATOM 628 CA LYS A 40 -9.065 11.094 -0.345 1.00 0.27 C ATOM 629 C LYS A 40 -8.488 9.818 -0.917 1.00 0.24 C ATOM 630 O LYS A 40 -8.914 9.341 -1.961 1.00 0.26 O ATOM 631 CB LYS A 40 -10.586 11.182 -0.554 1.00 0.35 C ATOM 632 CG LYS A 40 -11.004 11.503 -1.979 1.00 1.07 C ATOM 633 CD LYS A 40 -12.510 11.474 -2.143 1.00 1.36 C ATOM 634 CE LYS A 40 -13.078 10.075 -1.978 1.00 1.62 C ATOM 635 NZ LYS A 40 -14.540 10.050 -2.223 1.00 2.51 N ATOM 0 H LYS A 40 -8.906 12.599 -1.772 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.897 11.110 0.732 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.037 10.234 -0.260 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.989 11.946 0.111 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -10.627 12.488 -2.255 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.550 10.785 -2.662 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -12.967 12.139 -1.409 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -12.774 11.858 -3.129 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -12.580 9.395 -2.670 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.871 9.713 -0.971 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -14.896 9.080 -2.102 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -15.016 10.680 -1.547 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -14.735 10.372 -3.192 1.00 2.51 H new ATOM 649 N ILE A 41 -7.483 9.283 -0.253 1.00 0.22 N ATOM 650 CA ILE A 41 -6.881 8.054 -0.716 1.00 0.21 C ATOM 651 C ILE A 41 -7.739 6.878 -0.298 1.00 0.23 C ATOM 652 O ILE A 41 -7.869 6.556 0.884 1.00 0.29 O ATOM 653 CB ILE A 41 -5.438 7.874 -0.195 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.871 6.509 -0.614 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.382 8.040 1.320 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.445 6.292 -0.153 1.00 0.25 C ATOM 0 H ILE A 41 -7.073 9.674 0.595 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.824 8.103 -1.803 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.819 8.651 -0.644 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.502 5.719 -0.207 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.913 6.423 -1.700 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.356 7.909 1.663 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.730 9.037 1.590 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.020 7.293 1.792 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.102 5.310 -0.480 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.803 7.062 -0.581 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.402 6.348 0.935 1.00 0.25 H new ATOM 668 N MET A 42 -8.362 6.269 -1.275 1.00 0.20 N ATOM 669 CA MET A 42 -9.187 5.125 -1.019 1.00 0.21 C ATOM 670 C MET A 42 -8.507 3.896 -1.558 1.00 0.20 C ATOM 671 O MET A 42 -8.004 3.887 -2.686 1.00 0.21 O ATOM 672 CB MET A 42 -10.579 5.283 -1.640 1.00 0.26 C ATOM 673 CG MET A 42 -10.570 5.626 -3.121 1.00 0.29 C ATOM 674 SD MET A 42 -12.224 5.564 -3.844 1.00 0.45 S ATOM 675 CE MET A 42 -11.969 6.464 -5.370 1.00 1.43 C ATOM 0 H MET A 42 -8.311 6.550 -2.254 1.00 0.20 H new ATOM 0 HA MET A 42 -9.323 5.029 0.058 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.135 4.356 -1.497 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.117 6.063 -1.102 1.00 0.26 H new ATOM 0 HG2 MET A 42 -10.152 6.623 -3.259 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.918 4.931 -3.650 1.00 0.29 H new ATOM 0 HE1 MET A 42 -12.561 6.009 -6.164 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.277 7.501 -5.237 1.00 1.43 H new ATOM 0 HE3 MET A 42 -10.913 6.431 -5.640 1.00 1.43 H new ATOM 685 N VAL A 43 -8.465 2.868 -0.751 1.00 0.22 N ATOM 686 CA VAL A 43 -7.942 1.611 -1.202 1.00 0.25 C ATOM 687 C VAL A 43 -8.946 0.978 -2.144 1.00 0.27 C ATOM 688 O VAL A 43 -10.082 0.702 -1.773 1.00 0.41 O ATOM 689 CB VAL A 43 -7.627 0.665 -0.034 1.00 0.32 C ATOM 690 CG1 VAL A 43 -7.227 -0.687 -0.554 1.00 0.51 C ATOM 691 CG2 VAL A 43 -6.507 1.213 0.827 1.00 0.79 C ATOM 0 H VAL A 43 -8.786 2.879 0.217 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.001 1.791 -1.721 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.528 0.577 0.572 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -7.006 -1.348 0.284 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -8.043 -1.107 -1.142 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -6.341 -0.588 -1.181 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.306 0.522 1.646 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -5.608 1.331 0.223 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -6.801 2.181 1.233 1.00 0.79 H new ATOM 701 N ARG A 44 -8.536 0.781 -3.373 1.00 0.29 N ATOM 702 CA ARG A 44 -9.432 0.285 -4.388 1.00 0.31 C ATOM 703 C ARG A 44 -9.059 -1.127 -4.760 1.00 0.38 C ATOM 704 O ARG A 44 -7.909 -1.421 -5.052 1.00 0.71 O ATOM 705 CB ARG A 44 -9.447 1.217 -5.599 1.00 0.33 C ATOM 706 CG ARG A 44 -10.022 2.579 -5.259 1.00 0.37 C ATOM 707 CD ARG A 44 -10.377 3.396 -6.482 1.00 0.50 C ATOM 708 NE ARG A 44 -11.112 2.650 -7.493 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.995 3.204 -8.331 1.00 0.72 C ATOM 710 NH1 ARG A 44 -12.280 4.500 -8.243 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.587 2.469 -9.259 1.00 1.10 N ATOM 0 H ARG A 44 -7.584 0.957 -3.695 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.447 0.265 -3.992 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.432 1.336 -5.978 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -10.034 0.764 -6.398 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.914 2.447 -4.646 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.300 3.131 -4.657 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -10.972 4.255 -6.173 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -9.461 3.786 -6.926 1.00 0.50 H new ATOM 0 HE ARG A 44 -10.944 1.647 -7.567 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.825 5.075 -7.535 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.954 4.919 -8.884 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.371 1.475 -9.337 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.260 2.896 -9.896 1.00 1.10 H new ATOM 725 N GLY A 45 -10.043 -1.991 -4.730 1.00 0.26 N ATOM 726 CA GLY A 45 -9.795 -3.404 -4.848 1.00 0.29 C ATOM 727 C GLY A 45 -10.657 -4.187 -3.888 1.00 0.29 C ATOM 728 O GLY A 45 -11.572 -3.631 -3.271 1.00 0.33 O ATOM 0 H GLY A 45 -11.026 -1.738 -4.625 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.995 -3.728 -5.869 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.743 -3.610 -4.649 1.00 0.29 H new ATOM 732 N LYS A 46 -10.371 -5.466 -3.753 1.00 0.39 N ATOM 733 CA LYS A 46 -11.146 -6.332 -2.884 1.00 0.50 C ATOM 734 C LYS A 46 -10.773 -6.114 -1.415 1.00 0.50 C ATOM 735 O LYS A 46 -9.700 -6.512 -0.965 1.00 0.62 O ATOM 736 CB LYS A 46 -10.946 -7.799 -3.301 1.00 0.74 C ATOM 737 CG LYS A 46 -9.505 -8.293 -3.194 1.00 0.90 C ATOM 738 CD LYS A 46 -9.209 -9.399 -4.193 1.00 0.94 C ATOM 739 CE LYS A 46 -9.216 -8.854 -5.610 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.825 -9.873 -6.613 1.00 1.45 N ATOM 0 H LYS A 46 -9.603 -5.932 -4.236 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.202 -6.082 -2.988 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.581 -8.431 -2.680 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.284 -7.921 -4.330 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.822 -7.460 -3.362 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.320 -8.658 -2.184 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.239 -9.845 -3.974 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -9.952 -10.191 -4.098 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -10.212 -8.480 -5.847 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.534 -8.006 -5.673 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -9.339 -9.701 -7.501 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.802 -9.813 -6.788 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -9.060 -10.821 -6.255 1.00 1.45 H new ATOM 754 N GLY A 47 -11.648 -5.439 -0.676 1.00 0.57 N ATOM 755 CA GLY A 47 -11.448 -5.336 0.755 1.00 0.68 C ATOM 756 C GLY A 47 -11.269 -3.915 1.226 1.00 0.51 C ATOM 757 O GLY A 47 -10.509 -3.649 2.151 1.00 0.60 O ATOM 0 H GLY A 47 -12.479 -4.969 -1.036 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.302 -5.778 1.268 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.571 -5.919 1.036 1.00 0.68 H new ATOM 761 N SER A 48 -11.987 -3.007 0.597 1.00 0.54 N ATOM 762 CA SER A 48 -11.865 -1.593 0.904 1.00 0.72 C ATOM 763 C SER A 48 -12.686 -1.218 2.146 1.00 1.02 C ATOM 764 O SER A 48 -12.138 -0.808 3.168 1.00 1.43 O ATOM 765 CB SER A 48 -12.359 -0.803 -0.309 1.00 0.82 C ATOM 766 OG SER A 48 -12.281 0.598 -0.115 1.00 1.31 O ATOM 0 H SER A 48 -12.665 -3.223 -0.134 1.00 0.54 H new ATOM 0 HA SER A 48 -10.823 -1.357 1.120 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.768 -1.079 -1.183 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.392 -1.080 -0.522 1.00 0.82 H new ATOM 0 HG SER A 48 -13.111 0.918 0.296 1.00 1.31 H new ATOM 772 N MET A 49 -14.001 -1.374 2.049 1.00 1.18 N ATOM 773 CA MET A 49 -14.915 -1.043 3.137 1.00 1.58 C ATOM 774 C MET A 49 -15.804 -2.233 3.467 1.00 1.30 C ATOM 775 O MET A 49 -16.960 -2.060 3.843 1.00 1.70 O ATOM 776 CB MET A 49 -15.774 0.177 2.790 1.00 2.49 C ATOM 777 CG MET A 49 -15.116 1.521 3.097 1.00 3.25 C ATOM 778 SD MET A 49 -13.737 1.913 2.005 1.00 4.35 S ATOM 779 CE MET A 49 -13.248 3.515 2.641 1.00 5.15 C ATOM 0 H MET A 49 -14.464 -1.733 1.214 1.00 1.18 H new ATOM 0 HA MET A 49 -14.314 -0.797 4.012 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.022 0.142 1.729 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.713 0.113 3.339 1.00 2.49 H new ATOM 0 HG2 MET A 49 -15.865 2.309 3.020 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.763 1.516 4.128 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.402 3.892 2.066 1.00 5.15 H new ATOM 0 HE2 MET A 49 -14.083 4.211 2.556 1.00 5.15 H new ATOM 0 HE3 MET A 49 -12.961 3.419 3.688 1.00 5.15 H new ATOM 789 N ARG A 50 -15.257 -3.434 3.298 1.00 0.89 N ATOM 790 CA ARG A 50 -16.011 -4.694 3.428 1.00 1.28 C ATOM 791 C ARG A 50 -16.544 -4.968 4.839 1.00 1.22 C ATOM 792 O ARG A 50 -16.763 -6.120 5.210 1.00 1.55 O ATOM 793 CB ARG A 50 -15.151 -5.871 2.975 1.00 1.65 C ATOM 794 CG ARG A 50 -14.949 -5.915 1.475 1.00 2.14 C ATOM 795 CD ARG A 50 -15.206 -7.306 0.924 1.00 2.26 C ATOM 796 NE ARG A 50 -14.206 -8.276 1.370 1.00 3.05 N ATOM 797 CZ ARG A 50 -14.211 -9.566 1.024 1.00 3.84 C ATOM 798 NH1 ARG A 50 -15.191 -10.050 0.268 1.00 4.04 N ATOM 799 NH2 ARG A 50 -13.241 -10.373 1.437 1.00 4.74 N ATOM 0 H ARG A 50 -14.273 -3.569 3.066 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.884 -4.580 2.785 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -14.179 -5.813 3.465 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.617 -6.801 3.300 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -15.619 -5.202 0.995 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -13.931 -5.608 1.234 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -16.196 -7.640 1.235 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -15.210 -7.267 -0.165 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.460 -7.947 1.982 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -15.941 -9.436 -0.049 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.193 -11.035 0.005 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -12.488 -10.008 2.021 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -13.249 -11.358 1.171 1.00 4.74 H new ATOM 813 N ASP A 51 -16.762 -3.924 5.612 1.00 0.99 N ATOM 814 CA ASP A 51 -17.350 -4.062 6.929 1.00 1.15 C ATOM 815 C ASP A 51 -18.832 -4.388 6.786 1.00 1.27 C ATOM 816 O ASP A 51 -19.480 -3.911 5.850 1.00 1.24 O ATOM 817 CB ASP A 51 -17.168 -2.778 7.732 1.00 1.25 C ATOM 818 CG ASP A 51 -17.572 -2.957 9.182 1.00 1.85 C ATOM 819 OD1 ASP A 51 -18.786 -2.917 9.471 1.00 2.67 O ATOM 820 OD2 ASP A 51 -16.681 -3.120 10.039 1.00 1.97 O ATOM 0 H ASP A 51 -16.539 -2.964 5.349 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.850 -4.871 7.462 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.126 -2.463 7.682 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.764 -1.982 7.285 1.00 1.25 H new ATOM 825 N LYS A 52 -19.360 -5.194 7.705 1.00 1.46 N ATOM 826 CA LYS A 52 -20.748 -5.652 7.625 1.00 1.63 C ATOM 827 C LYS A 52 -21.720 -4.485 7.483 1.00 1.60 C ATOM 828 O LYS A 52 -22.713 -4.579 6.762 1.00 1.65 O ATOM 829 CB LYS A 52 -21.129 -6.474 8.859 1.00 1.89 C ATOM 830 CG LYS A 52 -20.376 -7.783 8.990 1.00 2.13 C ATOM 831 CD LYS A 52 -20.941 -8.624 10.121 1.00 2.73 C ATOM 832 CE LYS A 52 -20.209 -9.949 10.264 1.00 3.39 C ATOM 833 NZ LYS A 52 -18.776 -9.760 10.609 1.00 4.02 N ATOM 0 H LYS A 52 -18.848 -5.544 8.515 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.820 -6.279 6.736 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.950 -5.874 9.751 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -22.198 -6.684 8.826 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -20.438 -8.338 8.054 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.320 -7.583 9.173 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -20.871 -8.068 11.056 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -21.999 -8.812 9.940 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -20.692 -10.548 11.036 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -20.287 -10.508 9.332 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -18.360 -10.674 10.879 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -18.268 -9.378 9.786 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -18.695 -9.095 11.404 1.00 4.02 H new ATOM 847 N LYS A 53 -21.423 -3.379 8.146 1.00 1.58 N ATOM 848 CA LYS A 53 -22.311 -2.230 8.121 1.00 1.61 C ATOM 849 C LYS A 53 -22.374 -1.620 6.723 1.00 1.43 C ATOM 850 O LYS A 53 -23.434 -1.207 6.257 1.00 1.45 O ATOM 851 CB LYS A 53 -21.867 -1.183 9.149 1.00 1.70 C ATOM 852 CG LYS A 53 -20.516 -0.543 8.853 1.00 1.61 C ATOM 853 CD LYS A 53 -19.921 0.136 10.080 1.00 1.81 C ATOM 854 CE LYS A 53 -20.791 1.272 10.591 1.00 2.29 C ATOM 855 NZ LYS A 53 -20.186 1.923 11.780 1.00 2.51 N ATOM 0 H LYS A 53 -20.579 -3.253 8.705 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.312 -2.569 8.386 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.623 -0.399 9.201 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -21.826 -1.652 10.132 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -19.826 -1.305 8.491 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.630 0.189 8.054 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -19.789 -0.601 10.872 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -18.931 0.522 9.835 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -20.930 2.010 9.801 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -21.779 0.889 10.847 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -20.803 2.694 12.105 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -20.076 1.223 12.541 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -19.254 2.309 11.528 1.00 2.51 H new ATOM 869 N LYS A 54 -21.253 -1.599 6.033 1.00 1.31 N ATOM 870 CA LYS A 54 -21.192 -0.933 4.752 1.00 1.17 C ATOM 871 C LYS A 54 -21.768 -1.795 3.637 1.00 1.19 C ATOM 872 O LYS A 54 -22.333 -1.278 2.684 1.00 1.21 O ATOM 873 CB LYS A 54 -19.770 -0.455 4.461 1.00 1.09 C ATOM 874 CG LYS A 54 -19.553 0.964 4.954 1.00 1.22 C ATOM 875 CD LYS A 54 -18.094 1.358 4.951 1.00 1.37 C ATOM 876 CE LYS A 54 -17.914 2.786 5.447 1.00 1.53 C ATOM 877 NZ LYS A 54 -18.599 3.772 4.566 1.00 2.16 N ATOM 0 H LYS A 54 -20.380 -2.031 6.335 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.825 -0.047 4.797 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.054 -1.122 4.941 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.580 -0.503 3.389 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.114 1.654 4.324 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -19.950 1.059 5.965 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.528 0.675 5.584 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.691 1.266 3.943 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.307 2.870 6.460 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -16.851 3.021 5.497 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.368 4.736 4.879 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.280 3.641 3.585 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -19.628 3.628 4.618 1.00 2.16 H new ATOM 891 N GLU A 55 -21.678 -3.103 3.771 1.00 1.26 N ATOM 892 CA GLU A 55 -22.324 -3.990 2.809 1.00 1.33 C ATOM 893 C GLU A 55 -23.838 -4.005 3.015 1.00 1.46 C ATOM 894 O GLU A 55 -24.585 -4.377 2.112 1.00 1.53 O ATOM 895 CB GLU A 55 -21.756 -5.407 2.890 1.00 1.44 C ATOM 896 CG GLU A 55 -21.612 -5.917 4.310 1.00 1.58 C ATOM 897 CD GLU A 55 -21.571 -7.431 4.392 1.00 1.79 C ATOM 898 OE1 GLU A 55 -21.391 -8.091 3.344 1.00 2.05 O ATOM 899 OE2 GLU A 55 -21.736 -7.972 5.505 1.00 1.96 O ATOM 0 H GLU A 55 -21.174 -3.575 4.522 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.116 -3.603 1.812 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.405 -6.083 2.333 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.781 -5.428 2.404 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.700 -5.510 4.746 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.444 -5.548 4.909 1.00 1.58 H new ATOM 906 N GLU A 56 -24.283 -3.621 4.208 1.00 1.51 N ATOM 907 CA GLU A 56 -25.716 -3.528 4.487 1.00 1.64 C ATOM 908 C GLU A 56 -26.342 -2.359 3.735 1.00 1.57 C ATOM 909 O GLU A 56 -27.186 -2.534 2.858 1.00 1.62 O ATOM 910 CB GLU A 56 -25.984 -3.309 5.979 1.00 1.78 C ATOM 911 CG GLU A 56 -25.737 -4.509 6.870 1.00 1.87 C ATOM 912 CD GLU A 56 -26.032 -4.197 8.325 1.00 2.05 C ATOM 913 OE1 GLU A 56 -27.220 -4.155 8.706 1.00 2.33 O ATOM 914 OE2 GLU A 56 -25.071 -4.007 9.105 1.00 2.40 O ATOM 0 H GLU A 56 -23.680 -3.371 4.992 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.155 -4.472 4.163 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.358 -2.486 6.326 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.020 -2.995 6.102 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -26.361 -5.340 6.542 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.700 -4.830 6.769 1.00 1.87 H new ATOM 921 N GLN A 57 -25.907 -1.167 4.102 1.00 1.48 N ATOM 922 CA GLN A 57 -26.541 0.065 3.647 1.00 1.47 C ATOM 923 C GLN A 57 -25.695 0.797 2.618 1.00 1.36 C ATOM 924 O GLN A 57 -26.222 1.404 1.687 1.00 1.40 O ATOM 925 CB GLN A 57 -26.802 0.968 4.848 1.00 1.55 C ATOM 926 CG GLN A 57 -25.559 1.184 5.688 1.00 1.59 C ATOM 927 CD GLN A 57 -25.810 0.988 7.162 1.00 1.75 C ATOM 928 OE1 GLN A 57 -26.852 1.370 7.691 1.00 2.37 O ATOM 929 NE2 GLN A 57 -24.886 0.308 7.809 1.00 1.85 N ATOM 0 H GLN A 57 -25.109 -1.022 4.720 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.481 -0.197 3.163 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.175 1.932 4.501 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.584 0.528 5.467 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.781 0.494 5.362 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.182 2.193 5.519 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -24.038 0.013 7.326 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -25.019 0.076 8.793 1.00 1.85 H new ATOM 938 N ASN A 58 -24.378 0.730 2.786 1.00 1.27 N ATOM 939 CA ASN A 58 -23.457 1.467 1.931 1.00 1.21 C ATOM 940 C ASN A 58 -23.155 0.640 0.688 1.00 1.16 C ATOM 941 O ASN A 58 -22.324 1.004 -0.146 1.00 1.13 O ATOM 942 CB ASN A 58 -22.161 1.777 2.685 1.00 1.21 C ATOM 943 CG ASN A 58 -21.342 2.881 2.039 1.00 1.55 C ATOM 944 OD1 ASN A 58 -22.017 3.894 1.518 1.00 2.20 O flip ATOM 945 ND2 ASN A 58 -20.110 2.839 2.043 1.00 1.95 N flip ATOM 0 H ASN A 58 -23.925 0.171 3.509 1.00 1.27 H new ATOM 0 HA ASN A 58 -23.917 2.411 1.637 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.403 2.065 3.708 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.557 0.872 2.743 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -19.628 2.040 2.455 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -19.572 3.603 1.635 1.00 1.95 H new ATOM 952 N ARG A 59 -23.821 -0.508 0.622 1.00 1.20 N ATOM 953 CA ARG A 59 -23.689 -1.452 -0.474 1.00 1.22 C ATOM 954 C ARG A 59 -23.822 -0.771 -1.834 1.00 1.19 C ATOM 955 O ARG A 59 -24.579 0.191 -1.997 1.00 1.24 O ATOM 956 CB ARG A 59 -24.735 -2.565 -0.354 1.00 1.36 C ATOM 957 CG ARG A 59 -26.173 -2.112 -0.571 1.00 1.47 C ATOM 958 CD ARG A 59 -27.144 -3.280 -0.465 1.00 1.69 C ATOM 959 NE ARG A 59 -26.775 -4.384 -1.357 1.00 2.08 N ATOM 960 CZ ARG A 59 -27.240 -5.627 -1.244 1.00 2.67 C ATOM 961 NH1 ARG A 59 -28.150 -5.920 -0.324 1.00 2.95 N ATOM 962 NH2 ARG A 59 -26.806 -6.578 -2.064 1.00 3.45 N ATOM 0 H ARG A 59 -24.477 -0.810 1.342 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.689 -1.881 -0.407 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.501 -3.345 -1.078 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.655 -3.015 0.636 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.432 -1.353 0.167 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.266 -1.647 -1.553 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.169 -3.638 0.564 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -28.150 -2.938 -0.708 1.00 1.69 H new ATOM 0 HE ARG A 59 -26.119 -4.187 -2.113 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.497 -5.192 0.301 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -28.503 -6.873 -0.241 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -26.116 -6.357 -2.781 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -27.163 -7.529 -1.976 1.00 3.45 H new ATOM 976 N GLY A 60 -23.066 -1.272 -2.796 1.00 1.15 N ATOM 977 CA GLY A 60 -23.128 -0.755 -4.155 1.00 1.15 C ATOM 978 C GLY A 60 -22.294 0.503 -4.361 1.00 1.07 C ATOM 979 O GLY A 60 -22.094 0.942 -5.494 1.00 1.09 O ATOM 0 H GLY A 60 -22.403 -2.035 -2.663 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.786 -1.526 -4.845 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.166 -0.539 -4.407 1.00 1.15 H new ATOM 983 N LYS A 61 -21.810 1.085 -3.272 1.00 1.00 N ATOM 984 CA LYS A 61 -21.014 2.310 -3.342 1.00 0.95 C ATOM 985 C LYS A 61 -19.559 2.011 -3.700 1.00 0.80 C ATOM 986 O LYS A 61 -19.161 0.857 -3.682 1.00 0.77 O ATOM 987 CB LYS A 61 -21.115 3.091 -2.028 1.00 1.04 C ATOM 988 CG LYS A 61 -22.189 4.172 -2.055 1.00 1.55 C ATOM 989 CD LYS A 61 -23.485 3.659 -2.662 1.00 2.06 C ATOM 990 CE LYS A 61 -24.567 4.727 -2.679 1.00 2.55 C ATOM 991 NZ LYS A 61 -24.951 5.147 -1.310 1.00 3.16 N ATOM 0 H LYS A 61 -21.953 0.730 -2.326 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.420 2.932 -4.140 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.328 2.397 -1.215 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.151 3.551 -1.811 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.376 4.525 -1.041 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -21.831 5.027 -2.629 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.298 3.316 -3.680 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -23.835 2.797 -2.094 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -24.213 5.593 -3.239 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.445 4.346 -3.202 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -25.820 5.717 -1.353 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -25.118 4.305 -0.723 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -24.185 5.714 -0.893 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.779 3.057 -4.081 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.360 2.984 -4.476 1.00 0.66 C ATOM 1007 C PRO A 62 -16.536 1.839 -3.901 1.00 0.58 C ATOM 1008 O PRO A 62 -15.677 1.294 -4.581 1.00 0.51 O ATOM 1009 CB PRO A 62 -16.859 4.292 -3.896 1.00 0.70 C ATOM 1010 CG PRO A 62 -17.950 5.258 -4.211 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.236 4.451 -4.226 1.00 0.85 C ATOM 0 HA PRO A 62 -17.265 2.816 -5.549 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.690 4.215 -2.822 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -15.914 4.594 -4.347 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -17.996 6.051 -3.464 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.780 5.738 -5.175 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -19.900 4.741 -3.411 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.788 4.596 -5.154 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.814 1.452 -2.681 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.065 0.392 -2.028 1.00 0.63 C ATOM 1021 C ASN A 63 -16.335 -0.928 -2.718 1.00 0.56 C ATOM 1022 O ASN A 63 -15.442 -1.754 -2.876 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.462 0.308 -0.561 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.213 1.540 -0.081 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.526 1.532 -0.235 1.00 1.93 O flip ATOM 1026 ND2 ASN A 63 -16.618 2.498 0.404 1.00 1.06 N flip ATOM 0 H ASN A 63 -17.558 1.855 -2.111 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.000 0.613 -2.093 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.084 -0.574 -0.408 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -15.566 0.175 0.046 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -15.604 2.469 0.508 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -17.138 3.323 0.703 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.574 -1.098 -3.133 1.00 0.61 N ATOM 1034 CA TRP A 64 -18.003 -2.266 -3.861 1.00 0.62 C ATOM 1035 C TRP A 64 -17.848 -2.003 -5.341 1.00 0.60 C ATOM 1036 O TRP A 64 -17.793 -2.926 -6.136 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.442 -2.591 -3.499 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.675 -2.424 -2.033 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.288 -1.375 -1.423 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.247 -3.305 -0.992 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.281 -1.548 -0.066 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.652 -2.732 0.226 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.572 -4.529 -0.973 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.394 -3.337 1.450 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -18.322 -5.129 0.244 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.734 -4.534 1.440 1.00 1.18 C ATOM 0 H TRP A 64 -18.317 -0.419 -2.970 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.391 -3.128 -3.597 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -20.117 -1.940 -4.055 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.673 -3.615 -3.793 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.718 -0.527 -1.936 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.678 -0.903 0.617 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -18.252 -4.996 -1.893 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.704 -2.878 2.377 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.799 -6.074 0.273 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.526 -5.031 2.376 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.783 -0.719 -5.690 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.445 -0.307 -7.043 1.00 0.55 C ATOM 1059 C GLU A 65 -16.065 -0.830 -7.407 1.00 0.48 C ATOM 1060 O GLU A 65 -15.893 -1.585 -8.362 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.449 1.217 -7.168 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.668 1.723 -8.370 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.397 3.207 -8.317 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -15.773 3.663 -7.337 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -16.838 3.929 -9.235 1.00 1.59 O ATOM 0 H GLU A 65 -17.962 0.054 -5.048 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.193 -0.718 -7.721 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.479 1.566 -7.239 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.028 1.650 -6.261 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.720 1.188 -8.431 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.223 1.493 -9.280 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.081 -0.432 -6.613 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.711 -0.842 -6.841 1.00 0.38 C ATOM 1074 C HIS A 66 -13.413 -2.193 -6.204 1.00 0.36 C ATOM 1075 O HIS A 66 -12.293 -2.676 -6.274 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.716 0.215 -6.372 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.862 0.682 -4.960 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -12.991 2.013 -4.635 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.804 0.015 -3.791 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -12.995 2.146 -3.327 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.883 0.950 -2.781 1.00 0.47 N ATOM 0 H HIS A 66 -15.211 0.176 -5.804 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.591 -0.951 -7.919 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.709 -0.183 -6.498 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.801 1.080 -7.029 1.00 0.38 H new ATOM 0 HD2 HIS A 66 -12.713 -1.054 -3.668 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.076 3.079 -2.789 1.00 0.52 H new ATOM 0 HE2 HIS A 66 -12.859 0.751 -1.781 1.00 0.47 H new ATOM 1090 N LEU A 67 -14.419 -2.791 -5.570 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.300 -4.157 -5.050 1.00 0.40 C ATOM 1092 C LEU A 67 -14.075 -5.107 -6.221 1.00 0.41 C ATOM 1093 O LEU A 67 -13.567 -6.218 -6.071 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.584 -4.542 -4.295 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.421 -5.446 -3.061 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.874 -6.814 -3.431 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -14.524 -4.778 -2.033 1.00 1.59 C ATOM 0 H LEU A 67 -15.326 -2.355 -5.403 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.460 -4.221 -4.359 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -16.080 -3.624 -3.980 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.253 -5.042 -4.996 1.00 0.48 H new ATOM 0 HG LEU A 67 -16.411 -5.595 -2.629 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.774 -7.421 -2.531 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -15.557 -7.303 -4.125 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -13.898 -6.700 -3.902 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -14.418 -5.429 -1.165 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -13.543 -4.594 -2.471 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.967 -3.831 -1.724 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.429 -4.623 -7.401 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.324 -5.402 -8.630 1.00 0.47 C ATOM 1111 C ASN A 68 -12.937 -5.236 -9.246 1.00 0.44 C ATOM 1112 O ASN A 68 -12.680 -5.690 -10.361 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.403 -4.970 -9.633 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.801 -5.015 -9.042 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.473 -6.043 -9.079 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -17.251 -3.887 -8.511 1.00 0.58 N ATOM 0 H ASN A 68 -14.797 -3.681 -7.536 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.476 -6.453 -8.386 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.190 -3.958 -9.976 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.361 -5.619 -10.508 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -18.189 -3.850 -8.112 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.659 -3.056 -8.501 1.00 0.58 H new ATOM 1123 N GLU A 69 -12.052 -4.575 -8.513 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.668 -4.405 -8.934 1.00 0.37 C ATOM 1125 C GLU A 69 -9.762 -5.234 -8.030 1.00 0.32 C ATOM 1126 O GLU A 69 -10.200 -5.726 -6.988 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.252 -2.928 -8.852 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.236 -1.964 -9.500 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.765 -0.522 -9.449 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.553 -0.002 -8.338 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.584 0.099 -10.518 1.00 1.39 O ATOM 0 H GLU A 69 -12.271 -4.144 -7.615 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.574 -4.738 -9.968 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.130 -2.655 -7.804 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.278 -2.810 -9.328 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.392 -2.254 -10.539 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.201 -2.045 -8.999 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.507 -5.392 -8.420 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.543 -6.055 -7.557 1.00 0.30 C ATOM 1140 C ASP A 70 -6.924 -5.027 -6.631 1.00 0.22 C ATOM 1141 O ASP A 70 -6.745 -3.868 -7.022 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.462 -6.802 -8.337 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.803 -7.865 -7.472 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.387 -8.954 -7.299 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.673 -7.617 -6.988 1.00 1.10 O ATOM 0 H ASP A 70 -8.136 -5.075 -9.316 1.00 0.32 H new ATOM 0 HA ASP A 70 -8.074 -6.812 -6.979 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.901 -7.267 -9.220 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.709 -6.097 -8.689 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.635 -5.449 -5.406 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.286 -4.537 -4.324 1.00 0.17 C ATOM 1152 C LEU A 71 -5.166 -3.577 -4.709 1.00 0.17 C ATOM 1153 O LEU A 71 -4.070 -3.979 -5.079 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.863 -5.324 -3.086 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.680 -4.481 -1.830 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.894 -3.604 -1.629 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.453 -5.361 -0.610 1.00 0.79 C ATOM 0 H LEU A 71 -6.636 -6.432 -5.135 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.177 -3.947 -4.112 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.611 -6.092 -2.887 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.927 -5.839 -3.301 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.798 -3.853 -1.956 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.763 -3.001 -0.730 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -7.016 -2.948 -2.491 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.780 -4.229 -1.520 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.325 -4.734 0.272 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.313 -6.016 -0.469 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.558 -5.965 -0.758 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.471 -2.301 -4.663 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.471 -1.279 -4.859 1.00 0.17 C ATOM 1171 C HIS A 72 -4.789 -0.065 -4.012 1.00 0.17 C ATOM 1172 O HIS A 72 -5.909 0.096 -3.535 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.360 -0.899 -6.337 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.615 -0.349 -6.953 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.536 -1.146 -7.592 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.076 0.923 -7.078 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.497 -0.396 -8.090 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.246 0.863 -7.795 1.00 0.29 N ATOM 0 H HIS A 72 -6.411 -1.945 -4.490 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.506 -1.676 -4.544 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.567 -0.160 -6.447 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -4.054 -1.781 -6.900 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.483 -2.162 -7.668 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.609 1.815 -6.687 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.350 -0.754 -8.648 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.817 0.795 -3.850 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.021 2.018 -3.103 1.00 0.19 C ATOM 1189 C VAL A 73 -4.115 3.166 -4.082 1.00 0.20 C ATOM 1190 O VAL A 73 -3.236 3.358 -4.921 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.915 2.279 -2.052 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.004 1.267 -0.919 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.533 2.242 -2.682 1.00 0.29 C ATOM 0 H VAL A 73 -2.875 0.675 -4.223 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.947 1.921 -2.537 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.074 3.278 -1.646 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.218 1.467 -0.190 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.977 1.348 -0.435 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.880 0.261 -1.319 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.779 2.429 -1.917 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.362 1.262 -3.128 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.464 3.008 -3.454 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.209 3.886 -4.025 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.450 4.932 -4.986 1.00 0.18 C ATOM 1205 C LEU A 74 -5.687 6.254 -4.302 1.00 0.18 C ATOM 1206 O LEU A 74 -6.613 6.421 -3.509 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.611 4.543 -5.910 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.077 5.628 -6.884 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.563 5.004 -8.175 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -8.187 6.458 -6.272 1.00 0.80 C ATOM 0 H LEU A 74 -5.943 3.767 -3.327 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.560 5.054 -5.604 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.314 3.667 -6.486 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.459 4.247 -5.292 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.228 6.278 -7.097 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.891 5.788 -8.857 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -6.752 4.439 -8.634 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.397 4.334 -7.964 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.503 7.223 -6.981 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -9.033 5.814 -6.032 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -7.825 6.935 -5.361 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.813 7.178 -4.616 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.943 8.537 -4.172 1.00 0.18 C ATOM 1224 C ILE A 75 -5.877 9.268 -5.120 1.00 0.18 C ATOM 1225 O ILE A 75 -5.548 9.499 -6.287 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.566 9.237 -4.130 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.623 8.589 -5.150 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.976 9.182 -2.728 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.312 9.317 -5.339 1.00 0.30 C ATOM 0 H ILE A 75 -3.988 7.004 -5.190 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.352 8.551 -3.162 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.695 10.287 -4.393 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.415 7.566 -4.835 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.133 8.529 -6.111 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.007 9.681 -2.721 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.647 9.684 -2.031 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.851 8.142 -2.426 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.707 8.791 -6.077 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.506 10.332 -5.686 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.776 9.354 -4.390 1.00 0.30 H new ATOM 1241 N THR A 76 -7.054 9.592 -4.621 1.00 0.17 N ATOM 1242 CA THR A 76 -8.045 10.300 -5.401 1.00 0.20 C ATOM 1243 C THR A 76 -8.051 11.756 -4.999 1.00 0.19 C ATOM 1244 O THR A 76 -8.390 12.096 -3.866 1.00 0.22 O ATOM 1245 CB THR A 76 -9.453 9.710 -5.183 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.385 8.564 -4.324 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.073 9.296 -6.496 1.00 0.31 C ATOM 0 H THR A 76 -7.347 9.373 -3.669 1.00 0.17 H new ATOM 0 HA THR A 76 -7.787 10.198 -6.455 1.00 0.20 H new ATOM 0 HB THR A 76 -10.068 10.483 -4.722 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.600 8.830 -3.406 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.065 8.883 -6.316 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.155 10.164 -7.150 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.447 8.541 -6.972 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.639 12.613 -5.905 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.568 14.018 -5.610 1.00 0.25 C ATOM 1257 C VAL A 77 -8.497 14.801 -6.518 1.00 0.33 C ATOM 1258 O VAL A 77 -8.365 14.789 -7.749 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.122 14.555 -5.737 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.573 14.377 -7.143 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.056 16.010 -5.319 1.00 0.86 C ATOM 0 H VAL A 77 -7.349 12.359 -6.849 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.886 14.151 -4.576 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.495 13.968 -5.066 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.556 14.767 -7.189 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.567 13.318 -7.400 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.201 14.919 -7.850 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.032 16.370 -5.415 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.710 16.602 -5.959 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.379 16.106 -4.282 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.470 15.451 -5.916 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.317 16.339 -6.665 1.00 0.50 C ATOM 1273 C GLU A 78 -9.693 17.723 -6.624 1.00 0.63 C ATOM 1274 O GLU A 78 -10.010 18.537 -5.757 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.732 16.339 -6.076 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.410 14.980 -6.177 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.701 14.888 -5.392 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.724 15.439 -5.846 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -13.706 14.247 -4.321 1.00 1.63 O ATOM 0 H GLU A 78 -9.689 15.380 -4.922 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.402 16.013 -7.701 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.686 16.640 -5.030 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.337 17.082 -6.595 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.615 14.763 -7.225 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.722 14.213 -5.821 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.802 17.963 -7.584 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.008 19.189 -7.654 1.00 0.84 C ATOM 1288 C ASP A 79 -6.925 19.006 -8.713 1.00 0.75 C ATOM 1289 O ASP A 79 -6.314 17.941 -8.799 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.353 19.497 -6.298 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.704 20.865 -6.246 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -5.562 21.009 -6.733 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -7.332 21.807 -5.731 1.00 2.05 O ATOM 0 H ASP A 79 -8.609 17.307 -8.341 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.660 20.023 -7.914 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.107 19.430 -5.514 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.602 18.737 -6.084 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.705 20.023 -9.529 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.774 19.907 -10.647 1.00 1.17 C ATOM 1300 C ALA A 80 -4.399 20.496 -10.327 1.00 1.09 C ATOM 1301 O ALA A 80 -3.526 20.553 -11.198 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.363 20.580 -11.878 1.00 1.85 C ATOM 0 H ALA A 80 -7.154 20.935 -9.442 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.626 18.845 -10.842 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.665 20.491 -12.710 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.304 20.098 -12.141 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.542 21.634 -11.666 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.192 20.909 -9.086 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.973 21.617 -8.723 1.00 1.65 C ATOM 1310 C GLN A 81 -1.882 20.680 -8.212 1.00 0.98 C ATOM 1311 O GLN A 81 -2.150 19.672 -7.546 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.258 22.699 -7.681 1.00 2.75 C ATOM 1313 CG GLN A 81 -3.725 24.020 -8.274 1.00 3.72 C ATOM 1314 CD GLN A 81 -5.091 23.954 -8.940 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -5.351 24.671 -9.909 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -5.976 23.121 -8.420 1.00 5.39 N ATOM 0 H GLN A 81 -4.847 20.768 -8.317 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.605 22.085 -9.636 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.018 22.333 -6.991 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.354 22.874 -7.097 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -3.754 24.770 -7.484 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -2.991 24.356 -9.007 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -5.723 22.544 -7.618 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -6.912 23.055 -8.821 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.645 21.048 -8.525 1.00 0.84 N ATOM 1326 CA ASN A 82 0.531 20.281 -8.134 1.00 0.71 C ATOM 1327 C ASN A 82 0.660 20.206 -6.617 1.00 0.59 C ATOM 1328 O ASN A 82 1.112 19.203 -6.082 1.00 0.56 O ATOM 1329 CB ASN A 82 1.786 20.912 -8.749 1.00 1.13 C ATOM 1330 CG ASN A 82 3.081 20.270 -8.279 1.00 1.74 C ATOM 1331 OD1 ASN A 82 3.541 19.278 -8.850 1.00 2.48 O ATOM 1332 ND2 ASN A 82 3.696 20.856 -7.260 1.00 2.28 N ATOM 0 H ASN A 82 -0.429 21.890 -9.059 1.00 0.84 H new ATOM 0 HA ASN A 82 0.421 19.263 -8.507 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.726 20.837 -9.835 1.00 1.13 H new ATOM 0 HB3 ASN A 82 1.806 21.974 -8.504 1.00 1.13 H new ATOM 0 HD21 ASN A 82 4.584 20.488 -6.920 1.00 2.28 H new ATOM 0 HD22 ASN A 82 3.280 21.675 -6.816 1.00 2.28 H new ATOM 1339 N ARG A 83 0.246 21.262 -5.925 1.00 0.65 N ATOM 1340 CA ARG A 83 0.320 21.291 -4.466 1.00 0.63 C ATOM 1341 C ARG A 83 -0.493 20.154 -3.854 1.00 0.46 C ATOM 1342 O ARG A 83 -0.088 19.559 -2.853 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.159 22.637 -3.917 1.00 0.81 C ATOM 1344 CG ARG A 83 0.761 23.795 -4.267 1.00 1.66 C ATOM 1345 CD ARG A 83 2.144 23.614 -3.658 1.00 2.10 C ATOM 1346 NE ARG A 83 3.102 24.578 -4.193 1.00 2.64 N ATOM 1347 CZ ARG A 83 4.366 24.682 -3.793 1.00 3.34 C ATOM 1348 NH1 ARG A 83 4.828 23.924 -2.802 1.00 3.68 N ATOM 1349 NH2 ARG A 83 5.170 25.552 -4.384 1.00 4.17 N ATOM 0 H ARG A 83 -0.143 22.106 -6.347 1.00 0.65 H new ATOM 0 HA ARG A 83 1.365 21.158 -4.188 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -1.156 22.845 -4.305 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -0.247 22.568 -2.833 1.00 0.81 H new ATOM 0 HG2 ARG A 83 0.848 23.877 -5.350 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.325 24.728 -3.910 1.00 1.66 H new ATOM 0 HD2 ARG A 83 2.082 23.725 -2.575 1.00 2.10 H new ATOM 0 HD3 ARG A 83 2.498 22.602 -3.854 1.00 2.10 H new ATOM 0 HE ARG A 83 2.780 25.214 -4.922 1.00 2.64 H new ATOM 0 HH11 ARG A 83 4.211 23.255 -2.341 1.00 3.68 H new ATOM 0 HH12 ARG A 83 5.799 24.012 -2.503 1.00 3.68 H new ATOM 0 HH21 ARG A 83 4.819 26.138 -5.142 1.00 4.17 H new ATOM 0 HH22 ARG A 83 6.141 25.636 -4.082 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.628 19.839 -4.468 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.475 18.761 -3.983 1.00 0.38 C ATOM 1365 C ALA A 84 -1.812 17.413 -4.206 1.00 0.29 C ATOM 1366 O ALA A 84 -1.621 16.640 -3.261 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.839 18.794 -4.660 1.00 0.49 C ATOM 0 H ALA A 84 -1.980 20.314 -5.299 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.618 18.905 -2.912 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.454 17.978 -4.280 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.327 19.745 -4.448 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.713 18.683 -5.737 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.438 17.147 -5.454 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.835 15.866 -5.813 1.00 0.26 C ATOM 1375 C GLU A 85 0.517 15.685 -5.118 1.00 0.28 C ATOM 1376 O GLU A 85 0.912 14.570 -4.793 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.706 15.726 -7.334 1.00 0.34 C ATOM 1378 CG GLU A 85 0.296 16.683 -7.966 1.00 0.49 C ATOM 1379 CD GLU A 85 0.470 16.467 -9.456 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.186 15.517 -9.841 1.00 1.31 O ATOM 1381 OE2 GLU A 85 -0.095 17.251 -10.250 1.00 1.24 O ATOM 0 H GLU A 85 -1.541 17.799 -6.232 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.495 15.071 -5.465 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.413 14.703 -7.570 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.684 15.890 -7.787 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.030 17.708 -7.790 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.261 16.566 -7.473 1.00 0.49 H new ATOM 1388 N LEU A 86 1.215 16.785 -4.885 1.00 0.30 N ATOM 1389 CA LEU A 86 2.479 16.749 -4.161 1.00 0.36 C ATOM 1390 C LEU A 86 2.265 16.218 -2.748 1.00 0.28 C ATOM 1391 O LEU A 86 2.996 15.344 -2.272 1.00 0.28 O ATOM 1392 CB LEU A 86 3.086 18.151 -4.092 1.00 0.47 C ATOM 1393 CG LEU A 86 4.525 18.216 -3.581 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.459 17.459 -4.515 1.00 1.45 C ATOM 1395 CD2 LEU A 86 4.973 19.662 -3.435 1.00 1.47 C ATOM 0 H LEU A 86 0.928 17.716 -5.187 1.00 0.30 H new ATOM 0 HA LEU A 86 3.162 16.086 -4.692 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.051 18.593 -5.088 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.461 18.768 -3.447 1.00 0.47 H new ATOM 0 HG LEU A 86 4.563 17.743 -2.600 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.479 17.517 -4.135 1.00 1.45 H new ATOM 0 HD12 LEU A 86 5.151 16.415 -4.570 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.417 17.903 -5.510 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.000 19.690 -3.070 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.918 20.159 -4.403 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.322 20.175 -2.727 1.00 1.47 H new ATOM 1407 N LYS A 87 1.250 16.747 -2.087 1.00 0.24 N ATOM 1408 CA LYS A 87 0.981 16.395 -0.704 1.00 0.22 C ATOM 1409 C LYS A 87 0.454 14.963 -0.586 1.00 0.18 C ATOM 1410 O LYS A 87 0.800 14.248 0.352 1.00 0.20 O ATOM 1411 CB LYS A 87 0.004 17.392 -0.076 1.00 0.27 C ATOM 1412 CG LYS A 87 0.047 17.388 1.447 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.814 18.486 2.051 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.314 19.872 1.676 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.078 20.942 2.375 1.00 1.74 N ATOM 0 H LYS A 87 0.598 17.422 -2.486 1.00 0.24 H new ATOM 0 HA LYS A 87 1.922 16.444 -0.156 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.233 18.394 -0.438 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.008 17.158 -0.406 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.292 16.420 1.815 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.077 17.513 1.780 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -1.843 18.368 1.712 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -0.822 18.385 3.136 1.00 0.75 H new ATOM 0 HE2 LYS A 87 0.743 19.957 1.926 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -0.398 20.010 0.598 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -0.708 21.873 2.094 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -2.083 20.876 2.116 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -0.977 20.825 3.403 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.380 14.544 -1.528 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.912 13.185 -1.502 1.00 0.21 C ATOM 1431 C LEU A 88 0.157 12.150 -1.832 1.00 0.21 C ATOM 1432 O LEU A 88 0.146 11.056 -1.279 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.120 13.035 -2.435 1.00 0.30 C ATOM 1434 CG LEU A 88 -1.947 13.560 -3.861 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.307 12.522 -4.754 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.279 13.983 -4.439 1.00 1.33 C ATOM 0 H LEU A 88 -0.700 15.115 -2.310 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.249 12.998 -0.482 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.381 11.978 -2.489 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.968 13.549 -1.982 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.288 14.427 -3.814 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -1.198 12.926 -5.761 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.325 12.259 -4.360 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -1.936 11.632 -4.786 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.134 14.353 -5.454 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -3.955 13.128 -4.458 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.709 14.773 -3.823 1.00 1.33 H new ATOM 1448 N LYS A 89 1.089 12.492 -2.716 1.00 0.26 N ATOM 1449 CA LYS A 89 2.105 11.530 -3.134 1.00 0.31 C ATOM 1450 C LYS A 89 3.086 11.245 -2.001 1.00 0.29 C ATOM 1451 O LYS A 89 3.544 10.125 -1.850 1.00 0.30 O ATOM 1452 CB LYS A 89 2.830 11.974 -4.422 1.00 0.41 C ATOM 1453 CG LYS A 89 3.729 13.198 -4.289 1.00 0.47 C ATOM 1454 CD LYS A 89 5.143 12.843 -3.834 1.00 0.90 C ATOM 1455 CE LYS A 89 6.034 12.361 -4.982 1.00 1.05 C ATOM 1456 NZ LYS A 89 5.564 11.087 -5.598 1.00 2.07 N ATOM 0 H LYS A 89 1.163 13.412 -3.151 1.00 0.26 H new ATOM 0 HA LYS A 89 1.593 10.598 -3.373 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.433 11.141 -4.782 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.080 12.179 -5.186 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.779 13.713 -5.248 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.286 13.894 -3.576 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.600 13.716 -3.368 1.00 0.90 H new ATOM 0 HD3 LYS A 89 5.090 12.066 -3.071 1.00 0.90 H new ATOM 0 HE2 LYS A 89 6.076 13.134 -5.749 1.00 1.05 H new ATOM 0 HE3 LYS A 89 7.050 12.224 -4.612 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 6.340 10.656 -6.140 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 5.259 10.432 -4.850 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 4.765 11.283 -6.234 1.00 2.07 H new ATOM 1470 N ARG A 90 3.404 12.254 -1.202 1.00 0.27 N ATOM 1471 CA ARG A 90 4.255 12.039 -0.030 1.00 0.30 C ATOM 1472 C ARG A 90 3.494 11.248 1.031 1.00 0.25 C ATOM 1473 O ARG A 90 4.045 10.359 1.684 1.00 0.28 O ATOM 1474 CB ARG A 90 4.763 13.369 0.542 1.00 0.36 C ATOM 1475 CG ARG A 90 3.667 14.391 0.772 1.00 0.35 C ATOM 1476 CD ARG A 90 4.193 15.668 1.397 1.00 0.75 C ATOM 1477 NE ARG A 90 4.543 15.492 2.805 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.047 16.457 3.569 1.00 1.98 C ATOM 1479 NH1 ARG A 90 5.329 17.643 3.041 1.00 2.10 N ATOM 1480 NH2 ARG A 90 5.282 16.228 4.855 1.00 2.93 N ATOM 0 H ARG A 90 3.094 13.216 -1.336 1.00 0.27 H new ATOM 0 HA ARG A 90 5.126 11.462 -0.341 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.273 13.177 1.486 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.502 13.789 -0.140 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.187 14.625 -0.178 1.00 0.35 H new ATOM 0 HG3 ARG A 90 2.902 13.961 1.419 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.071 16.005 0.846 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.440 16.451 1.307 1.00 0.75 H new ATOM 0 HE ARG A 90 4.392 14.575 3.226 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.159 17.813 2.050 1.00 2.10 H new ATOM 0 HH12 ARG A 90 5.716 18.383 3.627 1.00 2.10 H new ATOM 0 HH21 ARG A 90 5.076 15.313 5.256 1.00 2.93 H new ATOM 0 HH22 ARG A 90 5.669 16.967 5.442 1.00 2.93 H new ATOM 1494 N ALA A 91 2.216 11.561 1.178 1.00 0.22 N ATOM 1495 CA ALA A 91 1.353 10.841 2.098 1.00 0.23 C ATOM 1496 C ALA A 91 1.263 9.372 1.704 1.00 0.21 C ATOM 1497 O ALA A 91 1.492 8.471 2.512 1.00 0.24 O ATOM 1498 CB ALA A 91 -0.029 11.468 2.096 1.00 0.26 C ATOM 0 H ALA A 91 1.753 12.313 0.668 1.00 0.22 H new ATOM 0 HA ALA A 91 1.775 10.903 3.101 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.675 10.926 2.787 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.044 12.510 2.408 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.449 11.419 1.092 1.00 0.26 H new ATOM 1504 N VAL A 92 0.952 9.145 0.442 1.00 0.18 N ATOM 1505 CA VAL A 92 0.846 7.804 -0.093 1.00 0.19 C ATOM 1506 C VAL A 92 2.205 7.111 -0.067 1.00 0.22 C ATOM 1507 O VAL A 92 2.287 5.891 -0.036 1.00 0.24 O ATOM 1508 CB VAL A 92 0.252 7.812 -1.515 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.288 8.190 -2.563 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.388 6.472 -1.834 1.00 0.26 C ATOM 0 H VAL A 92 0.767 9.883 -0.238 1.00 0.18 H new ATOM 0 HA VAL A 92 0.162 7.240 0.541 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.522 8.579 -1.544 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.826 8.183 -3.550 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.674 9.187 -2.350 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.107 7.471 -2.541 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.802 6.497 -2.842 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.364 5.685 -1.770 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.186 6.271 -1.119 1.00 0.26 H new ATOM 1520 N GLU A 93 3.267 7.899 -0.110 1.00 0.25 N ATOM 1521 CA GLU A 93 4.617 7.373 0.004 1.00 0.31 C ATOM 1522 C GLU A 93 4.891 6.767 1.381 1.00 0.31 C ATOM 1523 O GLU A 93 5.708 5.856 1.507 1.00 0.33 O ATOM 1524 CB GLU A 93 5.643 8.449 -0.316 1.00 0.39 C ATOM 1525 CG GLU A 93 6.067 8.457 -1.776 1.00 0.71 C ATOM 1526 CD GLU A 93 6.859 7.232 -2.169 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.788 6.858 -1.422 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.544 6.626 -3.215 1.00 1.61 O ATOM 0 H GLU A 93 3.219 8.911 -0.224 1.00 0.25 H new ATOM 0 HA GLU A 93 4.707 6.569 -0.727 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.229 9.424 -0.059 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.523 8.301 0.310 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.180 8.526 -2.406 1.00 0.71 H new ATOM 0 HG3 GLU A 93 6.666 9.347 -1.970 1.00 0.71 H new ATOM 1535 N GLU A 94 4.246 7.264 2.426 1.00 0.31 N ATOM 1536 CA GLU A 94 4.356 6.588 3.714 1.00 0.34 C ATOM 1537 C GLU A 94 3.560 5.296 3.663 1.00 0.29 C ATOM 1538 O GLU A 94 3.917 4.299 4.296 1.00 0.29 O ATOM 1539 CB GLU A 94 3.925 7.469 4.890 1.00 0.42 C ATOM 1540 CG GLU A 94 2.436 7.491 5.192 1.00 0.90 C ATOM 1541 CD GLU A 94 2.136 8.132 6.534 1.00 1.40 C ATOM 1542 OE1 GLU A 94 2.379 9.348 6.691 1.00 2.09 O ATOM 1543 OE2 GLU A 94 1.660 7.423 7.448 1.00 1.62 O ATOM 0 H GLU A 94 3.662 8.100 2.415 1.00 0.31 H new ATOM 0 HA GLU A 94 5.408 6.364 3.891 1.00 0.34 H new ATOM 0 HB2 GLU A 94 4.452 7.133 5.783 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.251 8.490 4.693 1.00 0.42 H new ATOM 0 HG2 GLU A 94 1.915 8.037 4.405 1.00 0.90 H new ATOM 0 HG3 GLU A 94 2.049 6.472 5.183 1.00 0.90 H new ATOM 1550 N VAL A 95 2.489 5.307 2.882 1.00 0.28 N ATOM 1551 CA VAL A 95 1.812 4.062 2.544 1.00 0.26 C ATOM 1552 C VAL A 95 2.781 3.161 1.789 1.00 0.25 C ATOM 1553 O VAL A 95 2.829 1.969 2.035 1.00 0.26 O ATOM 1554 CB VAL A 95 0.538 4.271 1.694 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.100 2.924 1.353 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.452 5.167 2.426 1.00 0.62 C ATOM 0 H VAL A 95 2.076 6.147 2.477 1.00 0.28 H new ATOM 0 HA VAL A 95 1.494 3.604 3.480 1.00 0.26 H new ATOM 0 HB VAL A 95 0.818 4.764 0.763 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.996 3.087 0.754 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.609 2.318 0.788 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.368 2.405 2.273 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.343 5.303 1.812 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.731 4.704 3.373 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.008 6.137 2.618 1.00 0.62 H new ATOM 1566 N LYS A 96 3.581 3.758 0.902 1.00 0.26 N ATOM 1567 CA LYS A 96 4.634 3.036 0.181 1.00 0.30 C ATOM 1568 C LYS A 96 5.576 2.333 1.150 1.00 0.33 C ATOM 1569 O LYS A 96 6.115 1.267 0.854 1.00 0.39 O ATOM 1570 CB LYS A 96 5.449 3.987 -0.689 1.00 0.36 C ATOM 1571 CG LYS A 96 4.728 4.482 -1.926 1.00 0.88 C ATOM 1572 CD LYS A 96 4.534 3.367 -2.934 1.00 1.20 C ATOM 1573 CE LYS A 96 4.419 3.919 -4.345 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.654 4.646 -4.751 1.00 2.00 N ATOM 0 H LYS A 96 3.519 4.748 0.664 1.00 0.26 H new ATOM 0 HA LYS A 96 4.142 2.295 -0.450 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.744 4.847 -0.087 1.00 0.36 H new ATOM 0 HB3 LYS A 96 6.366 3.483 -0.996 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.759 4.893 -1.644 1.00 0.88 H new ATOM 0 HG3 LYS A 96 5.298 5.292 -2.382 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.373 2.673 -2.879 1.00 1.20 H new ATOM 0 HD3 LYS A 96 3.635 2.802 -2.687 1.00 1.20 H new ATOM 0 HE2 LYS A 96 4.231 3.102 -5.042 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.564 4.592 -4.405 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 5.701 4.698 -5.789 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.636 5.608 -4.357 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 6.489 4.140 -4.391 1.00 2.00 H new ATOM 1588 N LYS A 97 5.763 2.941 2.310 1.00 0.33 N ATOM 1589 CA LYS A 97 6.642 2.400 3.326 1.00 0.39 C ATOM 1590 C LYS A 97 6.008 1.172 3.968 1.00 0.35 C ATOM 1591 O LYS A 97 6.698 0.232 4.359 1.00 0.45 O ATOM 1592 CB LYS A 97 6.922 3.470 4.384 1.00 0.49 C ATOM 1593 CG LYS A 97 7.921 3.052 5.448 1.00 1.09 C ATOM 1594 CD LYS A 97 9.312 2.870 4.865 1.00 1.89 C ATOM 1595 CE LYS A 97 10.335 2.622 5.958 1.00 2.76 C ATOM 1596 NZ LYS A 97 10.397 3.755 6.920 1.00 3.43 N ATOM 0 H LYS A 97 5.312 3.818 2.570 1.00 0.33 H new ATOM 0 HA LYS A 97 7.584 2.101 2.865 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.292 4.367 3.887 1.00 0.49 H new ATOM 0 HB3 LYS A 97 5.984 3.739 4.869 1.00 0.49 H new ATOM 0 HG2 LYS A 97 7.951 3.805 6.236 1.00 1.09 H new ATOM 0 HG3 LYS A 97 7.594 2.120 5.910 1.00 1.09 H new ATOM 0 HD2 LYS A 97 9.310 2.032 4.167 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.590 3.758 4.297 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.083 1.705 6.491 1.00 2.76 H new ATOM 0 HE3 LYS A 97 11.317 2.471 5.510 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 11.301 3.725 7.434 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 10.323 4.654 6.403 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 9.611 3.679 7.597 1.00 3.43 H new ATOM 1610 N LEU A 98 4.685 1.189 4.071 1.00 0.30 N ATOM 1611 CA LEU A 98 3.967 0.088 4.695 1.00 0.33 C ATOM 1612 C LEU A 98 3.520 -0.978 3.694 1.00 0.27 C ATOM 1613 O LEU A 98 3.602 -2.167 3.982 1.00 0.35 O ATOM 1614 CB LEU A 98 2.750 0.600 5.463 1.00 0.45 C ATOM 1615 CG LEU A 98 3.014 1.040 6.906 1.00 0.83 C ATOM 1616 CD1 LEU A 98 3.871 2.294 6.954 1.00 1.70 C ATOM 1617 CD2 LEU A 98 1.700 1.262 7.630 1.00 1.29 C ATOM 0 H LEU A 98 4.092 1.947 3.733 1.00 0.30 H new ATOM 0 HA LEU A 98 4.672 -0.379 5.382 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.327 1.443 4.917 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.994 -0.185 5.474 1.00 0.45 H new ATOM 0 HG LEU A 98 3.565 0.246 7.409 1.00 0.83 H new ATOM 0 HD11 LEU A 98 4.040 2.580 7.992 1.00 1.70 H new ATOM 0 HD12 LEU A 98 4.828 2.099 6.471 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.360 3.104 6.433 1.00 1.70 H new ATOM 0 HD21 LEU A 98 1.898 1.575 8.655 1.00 1.29 H new ATOM 0 HD22 LEU A 98 1.129 2.037 7.118 1.00 1.29 H new ATOM 0 HD23 LEU A 98 1.128 0.334 7.638 1.00 1.29 H new ATOM 1629 N LEU A 99 3.072 -0.555 2.516 1.00 0.21 N ATOM 1630 CA LEU A 99 2.463 -1.462 1.534 1.00 0.22 C ATOM 1631 C LEU A 99 3.459 -2.474 0.970 1.00 0.25 C ATOM 1632 O LEU A 99 3.120 -3.256 0.088 1.00 0.43 O ATOM 1633 CB LEU A 99 1.782 -0.685 0.387 1.00 0.36 C ATOM 1634 CG LEU A 99 2.625 0.349 -0.371 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.745 -0.295 -1.176 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.732 1.176 -1.281 1.00 1.30 C ATOM 0 H LEU A 99 3.118 0.417 2.211 1.00 0.21 H new ATOM 0 HA LEU A 99 1.700 -2.021 2.075 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.411 -1.411 -0.336 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.913 -0.173 0.799 1.00 0.36 H new ATOM 0 HG LEU A 99 3.094 0.996 0.370 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.312 0.479 -1.694 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.407 -0.843 -0.505 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.319 -0.983 -1.906 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.336 1.908 -1.816 1.00 1.30 H new ATOM 0 HD22 LEU A 99 1.236 0.521 -1.998 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.982 1.693 -0.683 1.00 1.30 H new ATOM 1648 N VAL A 100 4.686 -2.449 1.459 1.00 0.32 N ATOM 1649 CA VAL A 100 5.671 -3.427 1.048 1.00 0.36 C ATOM 1650 C VAL A 100 5.380 -4.770 1.723 1.00 0.37 C ATOM 1651 O VAL A 100 5.367 -4.873 2.949 1.00 0.45 O ATOM 1652 CB VAL A 100 7.114 -2.954 1.353 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.300 -2.653 2.834 1.00 1.35 C ATOM 1654 CG2 VAL A 100 8.129 -3.981 0.875 1.00 1.29 C ATOM 0 H VAL A 100 5.021 -1.765 2.138 1.00 0.32 H new ATOM 0 HA VAL A 100 5.599 -3.549 -0.033 1.00 0.36 H new ATOM 0 HB VAL A 100 7.282 -2.026 0.806 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.324 -2.324 3.013 1.00 1.35 H new ATOM 0 HG12 VAL A 100 6.608 -1.866 3.135 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.102 -3.553 3.416 1.00 1.35 H new ATOM 0 HG21 VAL A 100 9.136 -3.629 1.099 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.955 -4.929 1.384 1.00 1.29 H new ATOM 0 HG23 VAL A 100 8.025 -4.122 -0.201 1.00 1.29 H new ATOM 1664 N PRO A 101 5.117 -5.813 0.922 1.00 0.39 N ATOM 1665 CA PRO A 101 4.767 -7.148 1.432 1.00 0.49 C ATOM 1666 C PRO A 101 5.915 -7.821 2.169 1.00 0.65 C ATOM 1667 O PRO A 101 5.733 -8.873 2.781 1.00 0.88 O ATOM 1668 CB PRO A 101 4.419 -7.929 0.167 1.00 0.64 C ATOM 1669 CG PRO A 101 5.149 -7.224 -0.920 1.00 0.60 C ATOM 1670 CD PRO A 101 5.126 -5.773 -0.550 1.00 0.45 C ATOM 0 HA PRO A 101 3.959 -7.099 2.162 1.00 0.49 H new ATOM 0 HB2 PRO A 101 4.732 -8.970 0.245 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.344 -7.932 -0.014 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.172 -7.590 -1.006 1.00 0.60 H new ATOM 0 HG3 PRO A 101 4.670 -7.390 -1.885 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.997 -5.243 -0.935 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.245 -5.268 -0.947 1.00 0.45 H new ATOM 1678 N ALA A 102 7.091 -7.207 2.091 1.00 0.68 N ATOM 1679 CA ALA A 102 8.266 -7.688 2.794 1.00 0.92 C ATOM 1680 C ALA A 102 8.603 -9.124 2.377 1.00 1.62 C ATOM 1681 O ALA A 102 8.441 -9.488 1.209 1.00 2.54 O ATOM 1682 CB ALA A 102 8.049 -7.571 4.301 1.00 1.15 C ATOM 0 H ALA A 102 7.252 -6.364 1.539 1.00 0.68 H new ATOM 0 HA ALA A 102 9.122 -7.069 2.524 1.00 0.92 H new ATOM 0 HB1 ALA A 102 8.933 -7.933 4.825 1.00 1.15 H new ATOM 0 HB2 ALA A 102 7.873 -6.528 4.563 1.00 1.15 H new ATOM 0 HB3 ALA A 102 7.185 -8.169 4.592 1.00 1.15 H new ATOM 1688 N ALA A 103 9.087 -9.920 3.329 1.00 1.90 N ATOM 1689 CA ALA A 103 9.408 -11.326 3.096 1.00 2.74 C ATOM 1690 C ALA A 103 10.517 -11.491 2.053 1.00 3.51 C ATOM 1691 O ALA A 103 11.664 -11.118 2.305 1.00 4.17 O ATOM 1692 CB ALA A 103 8.150 -12.118 2.732 1.00 3.15 C ATOM 0 H ALA A 103 9.267 -9.608 4.283 1.00 1.90 H new ATOM 0 HA ALA A 103 9.797 -11.739 4.027 1.00 2.74 H new ATOM 0 HB1 ALA A 103 8.414 -13.162 2.563 1.00 3.15 H new ATOM 0 HB2 ALA A 103 7.430 -12.053 3.548 1.00 3.15 H new ATOM 0 HB3 ALA A 103 7.709 -11.704 1.825 1.00 3.15 H new ATOM 1698 N GLU A 104 10.177 -12.025 0.887 1.00 3.92 N ATOM 1699 CA GLU A 104 11.171 -12.339 -0.131 1.00 5.00 C ATOM 1700 C GLU A 104 11.679 -11.076 -0.817 1.00 5.52 C ATOM 1701 O GLU A 104 12.823 -10.662 -0.618 1.00 5.64 O ATOM 1702 CB GLU A 104 10.585 -13.317 -1.154 1.00 5.60 C ATOM 1703 CG GLU A 104 11.553 -13.694 -2.261 1.00 6.47 C ATOM 1704 CD GLU A 104 11.090 -14.897 -3.050 1.00 7.07 C ATOM 1705 OE1 GLU A 104 10.201 -14.752 -3.915 1.00 7.30 O ATOM 1706 OE2 GLU A 104 11.618 -16.000 -2.806 1.00 7.55 O ATOM 0 H GLU A 104 9.218 -12.250 0.622 1.00 3.92 H new ATOM 0 HA GLU A 104 12.023 -12.811 0.357 1.00 5.00 H new ATOM 0 HB2 GLU A 104 10.267 -14.223 -0.637 1.00 5.60 H new ATOM 0 HB3 GLU A 104 9.694 -12.874 -1.598 1.00 5.60 H new ATOM 0 HG2 GLU A 104 11.676 -12.847 -2.936 1.00 6.47 H new ATOM 0 HG3 GLU A 104 12.532 -13.902 -1.828 1.00 6.47 H new ATOM 1713 N GLY A 105 10.828 -10.471 -1.616 1.00 6.19 N ATOM 1714 CA GLY A 105 11.207 -9.257 -2.305 1.00 7.00 C ATOM 1715 C GLY A 105 10.882 -9.295 -3.780 1.00 7.89 C ATOM 1716 O GLY A 105 9.820 -9.786 -4.166 1.00 8.70 O ATOM 0 H GLY A 105 9.879 -10.795 -1.804 1.00 6.19 H new ATOM 0 HA2 GLY A 105 10.696 -8.410 -1.847 1.00 7.00 H new ATOM 0 HA3 GLY A 105 12.277 -9.091 -2.177 1.00 7.00 H new ATOM 1720 N GLU A 106 11.819 -8.781 -4.592 1.00 7.96 N ATOM 1721 CA GLU A 106 11.633 -8.560 -6.035 1.00 8.97 C ATOM 1722 C GLU A 106 10.266 -7.975 -6.349 1.00 9.33 C ATOM 1723 O GLU A 106 9.676 -8.228 -7.399 1.00 9.43 O ATOM 1724 CB GLU A 106 11.886 -9.809 -6.868 1.00 9.46 C ATOM 1725 CG GLU A 106 11.059 -11.035 -6.514 1.00 9.55 C ATOM 1726 CD GLU A 106 11.393 -12.220 -7.395 1.00 10.47 C ATOM 1727 OE1 GLU A 106 12.321 -12.985 -7.058 1.00 10.99 O ATOM 1728 OE2 GLU A 106 10.712 -12.410 -8.419 1.00 10.82 O ATOM 0 H GLU A 106 12.742 -8.503 -4.259 1.00 7.96 H new ATOM 0 HA GLU A 106 12.391 -7.829 -6.318 1.00 8.97 H new ATOM 0 HB2 GLU A 106 11.704 -9.565 -7.915 1.00 9.46 H new ATOM 0 HB3 GLU A 106 12.940 -10.071 -6.780 1.00 9.46 H new ATOM 0 HG2 GLU A 106 11.231 -11.299 -5.471 1.00 9.55 H new ATOM 0 HG3 GLU A 106 10.000 -10.798 -6.612 1.00 9.55 H new ATOM 1735 N ASP A 107 9.827 -7.145 -5.438 1.00 9.76 N ATOM 1736 CA ASP A 107 8.530 -6.491 -5.502 1.00 10.43 C ATOM 1737 C ASP A 107 8.381 -5.668 -6.766 1.00 10.48 C ATOM 1738 O ASP A 107 7.702 -6.070 -7.710 1.00 11.15 O ATOM 1739 CB ASP A 107 8.319 -5.623 -4.250 1.00 10.67 C ATOM 1740 CG ASP A 107 9.538 -4.784 -3.894 1.00 11.41 C ATOM 1741 OD1 ASP A 107 9.648 -3.642 -4.383 1.00 11.98 O ATOM 1742 OD2 ASP A 107 10.403 -5.276 -3.139 1.00 11.57 O ATOM 0 H ASP A 107 10.367 -6.895 -4.610 1.00 9.76 H new ATOM 0 HA ASP A 107 7.760 -7.262 -5.530 1.00 10.43 H new ATOM 0 HB2 ASP A 107 7.466 -4.964 -4.411 1.00 10.67 H new ATOM 0 HB3 ASP A 107 8.069 -6.267 -3.407 1.00 10.67 H new ATOM 1747 N SER A 108 9.028 -4.530 -6.776 1.00 9.96 N ATOM 1748 CA SER A 108 9.007 -3.632 -7.901 1.00 10.24 C ATOM 1749 C SER A 108 9.537 -4.309 -9.165 1.00 10.41 C ATOM 1750 O SER A 108 9.108 -3.995 -10.274 1.00 11.07 O ATOM 1751 CB SER A 108 9.852 -2.426 -7.541 1.00 9.88 C ATOM 1752 OG SER A 108 9.312 -1.736 -6.422 1.00 10.00 O ATOM 0 H SER A 108 9.591 -4.198 -5.993 1.00 9.96 H new ATOM 0 HA SER A 108 7.982 -3.330 -8.115 1.00 10.24 H new ATOM 0 HB2 SER A 108 10.870 -2.745 -7.318 1.00 9.88 H new ATOM 0 HB3 SER A 108 9.909 -1.751 -8.395 1.00 9.88 H new ATOM 0 HG SER A 108 9.413 -2.287 -5.618 1.00 10.00 H new ATOM 1758 N LEU A 109 10.452 -5.252 -8.983 1.00 10.02 N ATOM 1759 CA LEU A 109 11.053 -5.963 -10.105 1.00 10.41 C ATOM 1760 C LEU A 109 10.007 -6.774 -10.863 1.00 11.26 C ATOM 1761 O LEU A 109 9.869 -6.641 -12.077 1.00 11.94 O ATOM 1762 CB LEU A 109 12.176 -6.882 -9.613 1.00 10.12 C ATOM 1763 CG LEU A 109 13.343 -6.173 -8.926 1.00 9.48 C ATOM 1764 CD1 LEU A 109 14.384 -7.182 -8.474 1.00 9.47 C ATOM 1765 CD2 LEU A 109 13.965 -5.147 -9.862 1.00 9.65 C ATOM 0 H LEU A 109 10.795 -5.543 -8.068 1.00 10.02 H new ATOM 0 HA LEU A 109 11.472 -5.223 -10.787 1.00 10.41 H new ATOM 0 HB2 LEU A 109 11.752 -7.607 -8.918 1.00 10.12 H new ATOM 0 HB3 LEU A 109 12.563 -7.444 -10.463 1.00 10.12 H new ATOM 0 HG LEU A 109 12.964 -5.652 -8.047 1.00 9.48 H new ATOM 0 HD11 LEU A 109 15.208 -6.661 -7.987 1.00 9.47 H new ATOM 0 HD12 LEU A 109 13.931 -7.882 -7.772 1.00 9.47 H new ATOM 0 HD13 LEU A 109 14.761 -7.728 -9.339 1.00 9.47 H new ATOM 0 HD21 LEU A 109 14.794 -4.651 -9.358 1.00 9.65 H new ATOM 0 HD22 LEU A 109 14.332 -5.647 -10.758 1.00 9.65 H new ATOM 0 HD23 LEU A 109 13.215 -4.407 -10.141 1.00 9.65 H new ATOM 1777 N LYS A 110 9.265 -7.599 -10.139 1.00 11.40 N ATOM 1778 CA LYS A 110 8.253 -8.452 -10.747 1.00 12.34 C ATOM 1779 C LYS A 110 7.033 -7.625 -11.141 1.00 12.93 C ATOM 1780 O LYS A 110 6.542 -7.702 -12.269 1.00 13.70 O ATOM 1781 CB LYS A 110 7.838 -9.545 -9.760 1.00 12.53 C ATOM 1782 CG LYS A 110 7.038 -10.675 -10.384 1.00 12.99 C ATOM 1783 CD LYS A 110 7.843 -11.965 -10.413 1.00 13.18 C ATOM 1784 CE LYS A 110 9.120 -11.820 -11.229 1.00 13.26 C ATOM 1785 NZ LYS A 110 10.017 -12.991 -11.060 1.00 13.83 N ATOM 0 H LYS A 110 9.345 -7.696 -9.127 1.00 11.40 H new ATOM 0 HA LYS A 110 8.672 -8.912 -11.642 1.00 12.34 H new ATOM 0 HB2 LYS A 110 8.733 -9.961 -9.298 1.00 12.53 H new ATOM 0 HB3 LYS A 110 7.248 -9.094 -8.963 1.00 12.53 H new ATOM 0 HG2 LYS A 110 6.119 -10.829 -9.819 1.00 12.99 H new ATOM 0 HG3 LYS A 110 6.747 -10.402 -11.398 1.00 12.99 H new ATOM 0 HD2 LYS A 110 8.095 -12.259 -9.394 1.00 13.18 H new ATOM 0 HD3 LYS A 110 7.233 -12.764 -10.833 1.00 13.18 H new ATOM 0 HE2 LYS A 110 8.867 -11.705 -12.283 1.00 13.26 H new ATOM 0 HE3 LYS A 110 9.644 -10.914 -10.926 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 10.781 -12.948 -11.764 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 10.426 -12.980 -10.104 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 9.473 -13.867 -11.193 1.00 13.83 H new ATOM 1799 N LYS A 111 6.578 -6.815 -10.199 1.00 12.70 N ATOM 1800 CA LYS A 111 5.364 -6.027 -10.349 1.00 13.45 C ATOM 1801 C LYS A 111 5.440 -5.078 -11.543 1.00 13.69 C ATOM 1802 O LYS A 111 4.565 -5.087 -12.417 1.00 14.58 O ATOM 1803 CB LYS A 111 5.131 -5.247 -9.053 1.00 13.35 C ATOM 1804 CG LYS A 111 3.980 -4.259 -9.089 1.00 13.65 C ATOM 1805 CD LYS A 111 2.662 -4.928 -9.426 1.00 14.12 C ATOM 1806 CE LYS A 111 1.495 -4.100 -8.924 1.00 14.42 C ATOM 1807 NZ LYS A 111 1.625 -2.662 -9.288 1.00 14.52 N ATOM 0 H LYS A 111 7.044 -6.684 -9.301 1.00 12.70 H new ATOM 0 HA LYS A 111 4.528 -6.700 -10.541 1.00 13.45 H new ATOM 0 HB2 LYS A 111 4.952 -5.959 -8.247 1.00 13.35 H new ATOM 0 HB3 LYS A 111 6.044 -4.707 -8.804 1.00 13.35 H new ATOM 0 HG2 LYS A 111 3.898 -3.764 -8.121 1.00 13.65 H new ATOM 0 HG3 LYS A 111 4.191 -3.484 -9.826 1.00 13.65 H new ATOM 0 HD2 LYS A 111 2.582 -5.061 -10.505 1.00 14.12 H new ATOM 0 HD3 LYS A 111 2.628 -5.921 -8.979 1.00 14.12 H new ATOM 0 HE2 LYS A 111 0.567 -4.495 -9.338 1.00 14.42 H new ATOM 0 HE3 LYS A 111 1.426 -4.193 -7.840 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 1.329 -2.072 -8.484 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 2.616 -2.452 -9.525 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 1.022 -2.456 -10.110 1.00 14.52 H new ATOM 1821 N MET A 112 6.490 -4.272 -11.585 1.00 13.03 N ATOM 1822 CA MET A 112 6.604 -3.229 -12.595 1.00 13.43 C ATOM 1823 C MET A 112 7.001 -3.780 -13.956 1.00 13.93 C ATOM 1824 O MET A 112 6.627 -3.216 -14.982 1.00 14.71 O ATOM 1825 CB MET A 112 7.576 -2.142 -12.148 1.00 12.78 C ATOM 1826 CG MET A 112 6.981 -1.215 -11.100 1.00 12.65 C ATOM 1827 SD MET A 112 8.206 -0.122 -10.350 1.00 12.08 S ATOM 1828 CE MET A 112 8.654 0.890 -11.759 1.00 12.60 C ATOM 0 H MET A 112 7.274 -4.319 -10.934 1.00 13.03 H new ATOM 0 HA MET A 112 5.614 -2.787 -12.706 1.00 13.43 H new ATOM 0 HB2 MET A 112 8.475 -2.608 -11.746 1.00 12.78 H new ATOM 0 HB3 MET A 112 7.881 -1.555 -13.014 1.00 12.78 H new ATOM 0 HG2 MET A 112 6.197 -0.613 -11.559 1.00 12.65 H new ATOM 0 HG3 MET A 112 6.509 -1.812 -10.320 1.00 12.65 H new ATOM 0 HE1 MET A 112 9.267 1.727 -11.425 1.00 12.60 H new ATOM 0 HE2 MET A 112 9.217 0.290 -12.474 1.00 12.60 H new ATOM 0 HE3 MET A 112 7.751 1.269 -12.236 1.00 12.60 H new ATOM 1838 N LYS A 113 7.757 -4.864 -13.979 1.00 13.65 N ATOM 1839 CA LYS A 113 8.151 -5.457 -15.248 1.00 14.28 C ATOM 1840 C LYS A 113 6.985 -6.186 -15.915 1.00 15.23 C ATOM 1841 O LYS A 113 6.860 -6.179 -17.139 1.00 16.03 O ATOM 1842 CB LYS A 113 9.340 -6.406 -15.072 1.00 13.94 C ATOM 1843 CG LYS A 113 9.724 -7.136 -16.352 1.00 14.60 C ATOM 1844 CD LYS A 113 9.951 -6.162 -17.496 1.00 15.23 C ATOM 1845 CE LYS A 113 9.390 -6.704 -18.801 1.00 16.15 C ATOM 1846 NZ LYS A 113 10.115 -7.920 -19.257 1.00 16.72 N ATOM 0 H LYS A 113 8.106 -5.346 -13.150 1.00 13.65 H new ATOM 0 HA LYS A 113 8.456 -4.640 -15.901 1.00 14.28 H new ATOM 0 HB2 LYS A 113 10.199 -5.838 -14.714 1.00 13.94 H new ATOM 0 HB3 LYS A 113 9.100 -7.139 -14.302 1.00 13.94 H new ATOM 0 HG2 LYS A 113 10.629 -7.719 -16.183 1.00 14.60 H new ATOM 0 HG3 LYS A 113 8.937 -7.840 -16.622 1.00 14.60 H new ATOM 0 HD2 LYS A 113 9.479 -5.207 -17.263 1.00 15.23 H new ATOM 0 HD3 LYS A 113 11.018 -5.971 -17.608 1.00 15.23 H new ATOM 0 HE2 LYS A 113 8.334 -6.939 -18.672 1.00 16.15 H new ATOM 0 HE3 LYS A 113 9.453 -5.934 -19.570 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 9.701 -8.257 -20.150 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 11.118 -7.691 -19.406 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 10.033 -8.664 -18.535 1.00 16.72 H new ATOM 1860 N LEU A 114 6.120 -6.804 -15.130 1.00 15.27 N ATOM 1861 CA LEU A 114 5.050 -7.591 -15.715 1.00 16.25 C ATOM 1862 C LEU A 114 3.841 -6.732 -16.074 1.00 16.89 C ATOM 1863 O LEU A 114 3.516 -6.573 -17.250 1.00 17.72 O ATOM 1864 CB LEU A 114 4.627 -8.729 -14.781 1.00 16.24 C ATOM 1865 CG LEU A 114 5.696 -9.793 -14.517 1.00 16.63 C ATOM 1866 CD1 LEU A 114 5.159 -10.864 -13.581 1.00 17.08 C ATOM 1867 CD2 LEU A 114 6.166 -10.417 -15.822 1.00 16.95 C ATOM 0 H LEU A 114 6.135 -6.778 -14.110 1.00 15.27 H new ATOM 0 HA LEU A 114 5.443 -8.020 -16.637 1.00 16.25 H new ATOM 0 HB2 LEU A 114 4.323 -8.299 -13.827 1.00 16.24 H new ATOM 0 HB3 LEU A 114 3.749 -9.217 -15.205 1.00 16.24 H new ATOM 0 HG LEU A 114 6.549 -9.310 -14.040 1.00 16.63 H new ATOM 0 HD11 LEU A 114 5.931 -11.613 -13.404 1.00 17.08 H new ATOM 0 HD12 LEU A 114 4.871 -10.408 -12.634 1.00 17.08 H new ATOM 0 HD13 LEU A 114 4.289 -11.340 -14.034 1.00 17.08 H new ATOM 0 HD21 LEU A 114 6.925 -11.170 -15.612 1.00 16.95 H new ATOM 0 HD22 LEU A 114 5.321 -10.885 -16.327 1.00 16.95 H new ATOM 0 HD23 LEU A 114 6.589 -9.644 -16.463 1.00 16.95 H new ATOM 1879 N MET A 115 3.188 -6.158 -15.070 1.00 16.60 N ATOM 1880 CA MET A 115 1.940 -5.439 -15.309 1.00 17.37 C ATOM 1881 C MET A 115 2.169 -3.946 -15.498 1.00 17.30 C ATOM 1882 O MET A 115 1.589 -3.340 -16.395 1.00 18.16 O ATOM 1883 CB MET A 115 0.950 -5.655 -14.171 1.00 17.40 C ATOM 1884 CG MET A 115 -0.413 -5.044 -14.449 1.00 18.36 C ATOM 1885 SD MET A 115 -1.505 -5.124 -13.023 1.00 18.37 S ATOM 1886 CE MET A 115 -0.594 -4.106 -11.865 1.00 17.17 C ATOM 0 H MET A 115 3.495 -6.175 -14.097 1.00 16.60 H new ATOM 0 HA MET A 115 1.523 -5.845 -16.231 1.00 17.37 H new ATOM 0 HB2 MET A 115 0.834 -6.724 -13.995 1.00 17.40 H new ATOM 0 HB3 MET A 115 1.356 -5.224 -13.256 1.00 17.40 H new ATOM 0 HG2 MET A 115 -0.287 -4.004 -14.749 1.00 18.36 H new ATOM 0 HG3 MET A 115 -0.877 -5.564 -15.288 1.00 18.36 H new ATOM 0 HE1 MET A 115 -1.220 -3.890 -10.999 1.00 17.17 H new ATOM 0 HE2 MET A 115 0.302 -4.636 -11.542 1.00 17.17 H new ATOM 0 HE3 MET A 115 -0.309 -3.172 -12.348 1.00 17.17 H new ATOM 1896 N GLU A 116 3.015 -3.353 -14.657 1.00 16.38 N ATOM 1897 CA GLU A 116 3.279 -1.914 -14.728 1.00 16.41 C ATOM 1898 C GLU A 116 3.966 -1.554 -16.044 1.00 16.77 C ATOM 1899 O GLU A 116 4.100 -0.387 -16.392 1.00 17.19 O ATOM 1900 CB GLU A 116 4.142 -1.459 -13.555 1.00 15.41 C ATOM 1901 CG GLU A 116 3.554 -1.787 -12.192 1.00 15.12 C ATOM 1902 CD GLU A 116 2.285 -1.027 -11.888 1.00 15.91 C ATOM 1903 OE1 GLU A 116 2.336 0.216 -11.866 1.00 16.29 O ATOM 1904 OE2 GLU A 116 1.226 -1.662 -11.718 1.00 16.27 O ATOM 0 H GLU A 116 3.527 -3.842 -13.923 1.00 16.38 H new ATOM 0 HA GLU A 116 2.320 -1.399 -14.677 1.00 16.41 H new ATOM 0 HB2 GLU A 116 5.124 -1.925 -13.637 1.00 15.41 H new ATOM 0 HB3 GLU A 116 4.293 -0.382 -13.625 1.00 15.41 H new ATOM 0 HG2 GLU A 116 3.349 -2.856 -12.141 1.00 15.12 H new ATOM 0 HG3 GLU A 116 4.294 -1.567 -11.423 1.00 15.12 H new ATOM 1911 N LEU A 117 4.426 -2.574 -16.746 1.00 16.72 N ATOM 1912 CA LEU A 117 5.032 -2.406 -18.056 1.00 17.21 C ATOM 1913 C LEU A 117 3.948 -2.006 -19.050 1.00 18.39 C ATOM 1914 O LEU A 117 4.155 -1.155 -19.915 1.00 18.98 O ATOM 1915 CB LEU A 117 5.717 -3.719 -18.479 1.00 17.03 C ATOM 1916 CG LEU A 117 6.878 -3.602 -19.483 1.00 17.18 C ATOM 1917 CD1 LEU A 117 6.380 -3.266 -20.879 1.00 18.26 C ATOM 1918 CD2 LEU A 117 7.881 -2.561 -19.014 1.00 16.60 C ATOM 0 H LEU A 117 4.390 -3.542 -16.425 1.00 16.72 H new ATOM 0 HA LEU A 117 5.790 -1.623 -18.028 1.00 17.21 H new ATOM 0 HB2 LEU A 117 6.092 -4.211 -17.582 1.00 17.03 H new ATOM 0 HB3 LEU A 117 4.960 -4.374 -18.910 1.00 17.03 H new ATOM 0 HG LEU A 117 7.371 -4.573 -19.532 1.00 17.18 H new ATOM 0 HD11 LEU A 117 7.228 -3.192 -21.560 1.00 18.26 H new ATOM 0 HD12 LEU A 117 5.706 -4.050 -21.223 1.00 18.26 H new ATOM 0 HD13 LEU A 117 5.848 -2.315 -20.856 1.00 18.26 H new ATOM 0 HD21 LEU A 117 8.696 -2.490 -19.735 1.00 16.60 H new ATOM 0 HD22 LEU A 117 7.387 -1.593 -18.928 1.00 16.60 H new ATOM 0 HD23 LEU A 117 8.280 -2.852 -18.042 1.00 16.60 H new ATOM 1930 N ALA A 118 2.779 -2.619 -18.897 1.00 18.81 N ATOM 1931 CA ALA A 118 1.637 -2.321 -19.733 1.00 19.94 C ATOM 1932 C ALA A 118 0.836 -1.157 -19.164 1.00 20.25 C ATOM 1933 O ALA A 118 0.432 -0.251 -19.898 1.00 20.88 O ATOM 1934 CB ALA A 118 0.756 -3.550 -19.884 1.00 20.42 C ATOM 0 H ALA A 118 2.604 -3.333 -18.190 1.00 18.81 H new ATOM 0 HA ALA A 118 2.002 -2.031 -20.718 1.00 19.94 H new ATOM 0 HB1 ALA A 118 -0.099 -3.309 -20.516 1.00 20.42 H new ATOM 0 HB2 ALA A 118 1.330 -4.355 -20.342 1.00 20.42 H new ATOM 0 HB3 ALA A 118 0.404 -3.868 -18.903 1.00 20.42 H new ATOM 1940 N ILE A 119 0.633 -1.190 -17.844 1.00 19.90 N ATOM 1941 CA ILE A 119 -0.140 -0.187 -17.106 1.00 20.25 C ATOM 1942 C ILE A 119 -1.635 -0.284 -17.432 1.00 21.12 C ATOM 1943 O ILE A 119 -2.474 -0.372 -16.536 1.00 21.13 O ATOM 1944 CB ILE A 119 0.346 1.259 -17.359 1.00 20.40 C ATOM 1945 CG1 ILE A 119 1.877 1.330 -17.387 1.00 20.16 C ATOM 1946 CG2 ILE A 119 -0.191 2.158 -16.264 1.00 20.03 C ATOM 1947 CD1 ILE A 119 2.426 2.702 -17.711 1.00 20.59 C ATOM 0 H ILE A 119 1.008 -1.928 -17.248 1.00 19.90 H new ATOM 0 HA ILE A 119 0.020 -0.412 -16.051 1.00 20.25 H new ATOM 0 HB ILE A 119 -0.023 1.589 -18.330 1.00 20.40 H new ATOM 0 HG12 ILE A 119 2.262 1.016 -16.417 1.00 20.16 H new ATOM 0 HG13 ILE A 119 2.250 0.618 -18.124 1.00 20.16 H new ATOM 0 HG21 ILE A 119 0.147 3.180 -16.434 1.00 20.03 H new ATOM 0 HG22 ILE A 119 -1.281 2.130 -16.272 1.00 20.03 H new ATOM 0 HG23 ILE A 119 0.174 1.812 -15.297 1.00 20.03 H new ATOM 0 HD11 ILE A 119 3.515 2.667 -17.711 1.00 20.59 H new ATOM 0 HD12 ILE A 119 2.073 3.012 -18.694 1.00 20.59 H new ATOM 0 HD13 ILE A 119 2.086 3.416 -16.961 1.00 20.59 H new ATOM 1959 N LEU A 120 -1.958 -0.259 -18.716 1.00 21.92 N ATOM 1960 CA LEU A 120 -3.332 -0.414 -19.172 1.00 22.85 C ATOM 1961 C LEU A 120 -3.718 -1.887 -19.162 1.00 23.12 C ATOM 1962 O LEU A 120 -2.906 -2.743 -18.821 1.00 23.32 O ATOM 1963 CB LEU A 120 -3.510 0.169 -20.582 1.00 23.66 C ATOM 1964 CG LEU A 120 -3.436 1.702 -20.692 1.00 23.95 C ATOM 1965 CD1 LEU A 120 -4.376 2.361 -19.694 1.00 23.98 C ATOM 1966 CD2 LEU A 120 -2.014 2.203 -20.493 1.00 23.52 C ATOM 0 H LEU A 120 -1.280 -0.132 -19.468 1.00 21.92 H new ATOM 0 HA LEU A 120 -3.985 0.133 -18.492 1.00 22.85 H new ATOM 0 HB2 LEU A 120 -2.745 -0.259 -21.230 1.00 23.66 H new ATOM 0 HB3 LEU A 120 -4.475 -0.157 -20.969 1.00 23.66 H new ATOM 0 HG LEU A 120 -3.751 1.976 -21.699 1.00 23.95 H new ATOM 0 HD11 LEU A 120 -4.307 3.445 -19.790 1.00 23.98 H new ATOM 0 HD12 LEU A 120 -5.399 2.044 -19.894 1.00 23.98 H new ATOM 0 HD13 LEU A 120 -4.096 2.068 -18.682 1.00 23.98 H new ATOM 0 HD21 LEU A 120 -1.996 3.290 -20.577 1.00 23.52 H new ATOM 0 HD22 LEU A 120 -1.660 1.909 -19.505 1.00 23.52 H new ATOM 0 HD23 LEU A 120 -1.366 1.770 -21.255 1.00 23.52 H new ATOM 1978 N ASN A 121 -4.953 -2.180 -19.555 1.00 23.21 N ATOM 1979 CA ASN A 121 -5.465 -3.561 -19.539 1.00 23.56 C ATOM 1980 C ASN A 121 -4.766 -4.469 -20.559 1.00 24.31 C ATOM 1981 O ASN A 121 -5.159 -5.621 -20.742 1.00 24.76 O ATOM 1982 CB ASN A 121 -6.988 -3.595 -19.765 1.00 23.18 C ATOM 1983 CG ASN A 121 -7.427 -3.363 -21.211 1.00 23.09 C ATOM 1984 OD1 ASN A 121 -6.726 -2.512 -21.945 1.00 23.47 O flip ATOM 1985 ND2 ASN A 121 -8.412 -3.939 -21.662 1.00 22.69 N flip ATOM 0 H ASN A 121 -5.623 -1.487 -19.889 1.00 23.21 H new ATOM 0 HA ASN A 121 -5.241 -3.952 -18.546 1.00 23.56 H new ATOM 0 HB2 ASN A 121 -7.369 -4.562 -19.435 1.00 23.18 H new ATOM 0 HB3 ASN A 121 -7.452 -2.837 -19.133 1.00 23.18 H new ATOM 0 HD21 ASN A 121 -8.935 -4.590 -21.076 1.00 22.69 H new ATOM 0 HD22 ASN A 121 -8.708 -3.767 -22.623 1.00 22.69 H new ATOM 1992 N GLY A 122 -3.734 -3.953 -21.220 1.00 24.55 N ATOM 1993 CA GLY A 122 -2.965 -4.756 -22.155 1.00 25.33 C ATOM 1994 C GLY A 122 -3.603 -4.828 -23.527 1.00 25.47 C ATOM 1995 O GLY A 122 -2.967 -4.510 -24.532 1.00 26.12 O ATOM 0 H GLY A 122 -3.415 -2.989 -21.124 1.00 24.55 H new ATOM 0 HA2 GLY A 122 -1.962 -4.339 -22.247 1.00 25.33 H new ATOM 0 HA3 GLY A 122 -2.855 -5.765 -21.757 1.00 25.33 H new ATOM 1999 N THR A 123 -4.859 -5.256 -23.560 1.00 24.93 N ATOM 2000 CA THR A 123 -5.618 -5.364 -24.798 1.00 25.12 C ATOM 2001 C THR A 123 -5.677 -4.027 -25.535 1.00 25.36 C ATOM 2002 O THR A 123 -5.543 -3.965 -26.761 1.00 25.90 O ATOM 2003 CB THR A 123 -7.048 -5.836 -24.492 1.00 24.51 C ATOM 2004 OG1 THR A 123 -6.998 -7.019 -23.684 1.00 24.32 O ATOM 2005 CG2 THR A 123 -7.819 -6.123 -25.774 1.00 24.86 C ATOM 0 H THR A 123 -5.379 -5.538 -22.729 1.00 24.93 H new ATOM 0 HA THR A 123 -5.113 -6.088 -25.437 1.00 25.12 H new ATOM 0 HB THR A 123 -7.565 -5.041 -23.955 1.00 24.51 H new ATOM 0 HG1 THR A 123 -7.910 -7.319 -23.487 1.00 24.32 H new ATOM 0 HG21 THR A 123 -8.827 -6.455 -25.526 1.00 24.86 H new ATOM 0 HG22 THR A 123 -7.874 -5.216 -26.376 1.00 24.86 H new ATOM 0 HG23 THR A 123 -7.309 -6.903 -26.339 1.00 24.86 H new ATOM 2013 N TYR A 124 -5.866 -2.961 -24.774 1.00 25.05 N ATOM 2014 CA TYR A 124 -5.968 -1.626 -25.340 1.00 25.37 C ATOM 2015 C TYR A 124 -4.909 -0.712 -24.744 1.00 25.65 C ATOM 2016 O TYR A 124 -5.078 -0.192 -23.641 1.00 25.59 O ATOM 2017 CB TYR A 124 -7.354 -1.026 -25.078 1.00 25.19 C ATOM 2018 CG TYR A 124 -8.511 -1.847 -25.606 1.00 25.19 C ATOM 2019 CD1 TYR A 124 -8.776 -1.903 -26.968 1.00 25.38 C ATOM 2020 CD2 TYR A 124 -9.323 -2.577 -24.748 1.00 25.09 C ATOM 2021 CE1 TYR A 124 -9.819 -2.661 -27.461 1.00 25.49 C ATOM 2022 CE2 TYR A 124 -10.368 -3.341 -25.235 1.00 25.20 C ATOM 2023 CZ TYR A 124 -10.658 -3.332 -26.560 1.00 25.41 C ATOM 2024 OH TYR A 124 -11.647 -4.137 -27.083 1.00 25.62 O ATOM 0 H TYR A 124 -5.952 -2.995 -23.758 1.00 25.05 H new ATOM 0 HA TYR A 124 -5.813 -1.710 -26.416 1.00 25.37 H new ATOM 0 HB2 TYR A 124 -7.480 -0.895 -24.003 1.00 25.19 H new ATOM 0 HB3 TYR A 124 -7.396 -0.034 -25.527 1.00 25.19 H new ATOM 0 HD1 TYR A 124 -8.156 -1.344 -27.653 1.00 25.38 H new ATOM 0 HD2 TYR A 124 -9.136 -2.548 -23.685 1.00 25.09 H new ATOM 0 HE1 TYR A 124 -9.986 -2.736 -28.525 1.00 25.49 H new ATOM 0 HE2 TYR A 124 -10.954 -3.946 -24.559 1.00 25.20 H new ATOM 0 HH TYR A 124 -12.157 -4.545 -26.352 1.00 25.62 H new ATOM 2034 N ARG A 125 -3.808 -0.537 -25.459 1.00 26.04 N ATOM 2035 CA ARG A 125 -2.808 0.440 -25.075 1.00 26.48 C ATOM 2036 C ARG A 125 -3.144 1.776 -25.710 1.00 26.87 C ATOM 2037 O ARG A 125 -2.463 2.772 -25.503 1.00 27.16 O ATOM 2038 CB ARG A 125 -1.402 0.003 -25.487 1.00 27.04 C ATOM 2039 CG ARG A 125 -0.890 -1.215 -24.737 1.00 27.29 C ATOM 2040 CD ARG A 125 0.549 -1.530 -25.115 1.00 27.33 C ATOM 2041 NE ARG A 125 0.694 -1.730 -26.554 1.00 27.77 N ATOM 2042 CZ ARG A 125 1.511 -2.623 -27.110 1.00 27.96 C ATOM 2043 NH1 ARG A 125 2.324 -3.359 -26.359 1.00 27.74 N ATOM 2044 NH2 ARG A 125 1.528 -2.767 -28.427 1.00 28.45 N ATOM 0 H ARG A 125 -3.587 -1.059 -26.307 1.00 26.04 H new ATOM 0 HA ARG A 125 -2.818 0.530 -23.989 1.00 26.48 H new ATOM 0 HB2 ARG A 125 -1.398 -0.213 -26.555 1.00 27.04 H new ATOM 0 HB3 ARG A 125 -0.713 0.832 -25.326 1.00 27.04 H new ATOM 0 HG2 ARG A 125 -0.956 -1.038 -23.663 1.00 27.29 H new ATOM 0 HG3 ARG A 125 -1.523 -2.074 -24.958 1.00 27.29 H new ATOM 0 HD2 ARG A 125 1.197 -0.715 -24.793 1.00 27.33 H new ATOM 0 HD3 ARG A 125 0.877 -2.426 -24.587 1.00 27.33 H new ATOM 0 HE ARG A 125 0.132 -1.147 -27.175 1.00 27.77 H new ATOM 0 HH11 ARG A 125 2.327 -3.243 -25.346 1.00 27.74 H new ATOM 0 HH12 ARG A 125 2.945 -4.040 -26.796 1.00 27.74 H new ATOM 0 HH21 ARG A 125 0.917 -2.195 -29.010 1.00 28.45 H new ATOM 0 HH22 ARG A 125 2.152 -3.450 -28.857 1.00 28.45 H new ATOM 2058 N ASP A 126 -4.209 1.779 -26.495 1.00 26.97 N ATOM 2059 CA ASP A 126 -4.713 2.980 -27.116 1.00 27.44 C ATOM 2060 C ASP A 126 -5.244 3.938 -26.058 1.00 27.02 C ATOM 2061 O ASP A 126 -5.126 5.152 -26.190 1.00 27.36 O ATOM 2062 CB ASP A 126 -5.822 2.605 -28.094 1.00 27.72 C ATOM 2063 CG ASP A 126 -5.356 1.630 -29.156 1.00 27.85 C ATOM 2064 OD1 ASP A 126 -5.317 0.411 -28.883 1.00 27.59 O ATOM 2065 OD2 ASP A 126 -5.029 2.083 -30.276 1.00 28.27 O ATOM 0 H ASP A 126 -4.747 0.941 -26.717 1.00 26.97 H new ATOM 0 HA ASP A 126 -3.906 3.479 -27.653 1.00 27.44 H new ATOM 0 HB2 ASP A 126 -6.654 2.167 -27.543 1.00 27.72 H new ATOM 0 HB3 ASP A 126 -6.198 3.508 -28.575 1.00 27.72 H new ATOM 2070 N ALA A 127 -5.788 3.378 -24.983 1.00 26.35 N ATOM 2071 CA ALA A 127 -6.329 4.174 -23.887 1.00 25.95 C ATOM 2072 C ALA A 127 -5.209 4.833 -23.084 1.00 25.77 C ATOM 2073 O ALA A 127 -5.459 5.570 -22.133 1.00 25.47 O ATOM 2074 CB ALA A 127 -7.187 3.302 -22.983 1.00 25.25 C ATOM 0 H ALA A 127 -5.866 2.370 -24.847 1.00 26.35 H new ATOM 0 HA ALA A 127 -6.949 4.964 -24.310 1.00 25.95 H new ATOM 0 HB1 ALA A 127 -7.586 3.905 -22.168 1.00 25.25 H new ATOM 0 HB2 ALA A 127 -8.010 2.880 -23.559 1.00 25.25 H new ATOM 0 HB3 ALA A 127 -6.580 2.495 -22.573 1.00 25.25 H new ATOM 2080 N ASN A 128 -3.972 4.556 -23.475 1.00 26.04 N ATOM 2081 CA ASN A 128 -2.802 5.137 -22.827 1.00 26.08 C ATOM 2082 C ASN A 128 -2.682 6.619 -23.176 1.00 26.74 C ATOM 2083 O ASN A 128 -2.313 7.443 -22.338 1.00 26.73 O ATOM 2084 CB ASN A 128 -1.549 4.370 -23.269 1.00 26.34 C ATOM 2085 CG ASN A 128 -0.252 4.908 -22.693 1.00 26.63 C ATOM 2086 OD1 ASN A 128 -0.226 5.517 -21.621 1.00 26.61 O ATOM 2087 ND2 ASN A 128 0.844 4.655 -23.396 1.00 27.01 N ATOM 0 H ASN A 128 -3.751 3.926 -24.246 1.00 26.04 H new ATOM 0 HA ASN A 128 -2.907 5.056 -21.745 1.00 26.08 H new ATOM 0 HB2 ASN A 128 -1.656 3.325 -22.979 1.00 26.34 H new ATOM 0 HB3 ASN A 128 -1.487 4.394 -24.357 1.00 26.34 H new ATOM 0 HD21 ASN A 128 1.753 4.968 -23.054 1.00 27.01 H new ATOM 0 HD22 ASN A 128 0.778 4.148 -24.278 1.00 27.01 H new ATOM 2094 N LEU A 129 -3.022 6.956 -24.416 1.00 27.38 N ATOM 2095 CA LEU A 129 -2.959 8.339 -24.874 1.00 28.13 C ATOM 2096 C LEU A 129 -4.280 8.767 -25.508 1.00 28.06 C ATOM 2097 O LEU A 129 -4.463 9.938 -25.841 1.00 28.19 O ATOM 2098 CB LEU A 129 -1.806 8.541 -25.874 1.00 28.95 C ATOM 2099 CG LEU A 129 -1.966 7.873 -27.247 1.00 29.65 C ATOM 2100 CD1 LEU A 129 -0.899 8.380 -28.205 1.00 30.01 C ATOM 2101 CD2 LEU A 129 -1.890 6.355 -27.141 1.00 30.08 C ATOM 0 H LEU A 129 -3.343 6.292 -25.120 1.00 27.38 H new ATOM 0 HA LEU A 129 -2.773 8.964 -24.000 1.00 28.13 H new ATOM 0 HB2 LEU A 129 -1.672 9.612 -26.029 1.00 28.95 H new ATOM 0 HB3 LEU A 129 -0.889 8.168 -25.418 1.00 28.95 H new ATOM 0 HG LEU A 129 -2.951 8.135 -27.632 1.00 29.65 H new ATOM 0 HD11 LEU A 129 -1.023 7.899 -29.175 1.00 30.01 H new ATOM 0 HD12 LEU A 129 -0.997 9.460 -28.320 1.00 30.01 H new ATOM 0 HD13 LEU A 129 0.088 8.145 -27.807 1.00 30.01 H new ATOM 0 HD21 LEU A 129 -2.007 5.915 -28.131 1.00 30.08 H new ATOM 0 HD22 LEU A 129 -0.923 6.067 -26.728 1.00 30.08 H new ATOM 0 HD23 LEU A 129 -2.685 5.996 -26.488 1.00 30.08 H new ATOM 2113 N LYS A 130 -5.197 7.808 -25.655 1.00 27.93 N ATOM 2114 CA LYS A 130 -6.493 8.039 -26.300 1.00 27.96 C ATOM 2115 C LYS A 130 -6.304 8.380 -27.774 1.00 28.18 C ATOM 2116 O LYS A 130 -5.205 8.247 -28.310 1.00 28.19 O ATOM 2117 CB LYS A 130 -7.276 9.152 -25.590 1.00 27.75 C ATOM 2118 CG LYS A 130 -7.591 8.838 -24.137 1.00 27.52 C ATOM 2119 CD LYS A 130 -8.385 9.958 -23.476 1.00 27.65 C ATOM 2120 CE LYS A 130 -9.771 10.110 -24.090 1.00 28.04 C ATOM 2121 NZ LYS A 130 -10.603 8.892 -23.901 1.00 28.17 N ATOM 0 H LYS A 130 -5.063 6.850 -25.331 1.00 27.93 H new ATOM 0 HA LYS A 130 -7.072 7.119 -26.225 1.00 27.96 H new ATOM 0 HB2 LYS A 130 -6.701 10.077 -25.637 1.00 27.75 H new ATOM 0 HB3 LYS A 130 -8.209 9.328 -26.126 1.00 27.75 H new ATOM 0 HG2 LYS A 130 -8.157 7.908 -24.080 1.00 27.52 H new ATOM 0 HG3 LYS A 130 -6.662 8.679 -23.590 1.00 27.52 H new ATOM 0 HD2 LYS A 130 -8.481 9.755 -22.409 1.00 27.65 H new ATOM 0 HD3 LYS A 130 -7.839 10.897 -23.574 1.00 27.65 H new ATOM 0 HE2 LYS A 130 -10.274 10.966 -23.640 1.00 28.04 H new ATOM 0 HE3 LYS A 130 -9.674 10.321 -25.155 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 -11.594 9.109 -24.131 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 -10.260 8.136 -24.528 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 -10.538 8.577 -22.912 1.00 28.17 H new ATOM 2135 N SER A 131 -7.377 8.797 -28.427 1.00 28.45 N ATOM 2136 CA SER A 131 -7.306 9.188 -29.826 1.00 28.77 C ATOM 2137 C SER A 131 -6.741 10.602 -29.954 1.00 28.91 C ATOM 2138 O SER A 131 -7.378 11.575 -29.545 1.00 29.19 O ATOM 2139 CB SER A 131 -8.694 9.106 -30.462 1.00 29.25 C ATOM 2140 OG SER A 131 -9.263 7.823 -30.264 1.00 29.23 O ATOM 0 H SER A 131 -8.306 8.873 -28.012 1.00 28.45 H new ATOM 0 HA SER A 131 -6.640 8.503 -30.351 1.00 28.77 H new ATOM 0 HB2 SER A 131 -9.343 9.867 -30.029 1.00 29.25 H new ATOM 0 HB3 SER A 131 -8.623 9.317 -31.529 1.00 29.25 H new ATOM 0 HG SER A 131 -10.151 7.792 -30.677 1.00 29.23 H new ATOM 2146 N PRO A 132 -5.525 10.731 -30.507 1.00 28.80 N ATOM 2147 CA PRO A 132 -4.849 12.016 -30.673 1.00 29.01 C ATOM 2148 C PRO A 132 -5.313 12.767 -31.922 1.00 29.52 C ATOM 2149 O PRO A 132 -4.612 13.658 -32.414 1.00 29.70 O ATOM 2150 CB PRO A 132 -3.364 11.633 -30.804 1.00 28.82 C ATOM 2151 CG PRO A 132 -3.303 10.137 -30.723 1.00 28.49 C ATOM 2152 CD PRO A 132 -4.691 9.632 -30.991 1.00 28.57 C ATOM 0 HA PRO A 132 -5.059 12.688 -29.841 1.00 29.01 H new ATOM 0 HB2 PRO A 132 -2.954 11.988 -31.749 1.00 28.82 H new ATOM 0 HB3 PRO A 132 -2.774 12.089 -30.009 1.00 28.82 H new ATOM 0 HG2 PRO A 132 -2.599 9.739 -31.453 1.00 28.49 H new ATOM 0 HG3 PRO A 132 -2.958 9.817 -29.740 1.00 28.49 H new ATOM 0 HD2 PRO A 132 -4.854 9.435 -32.051 1.00 28.57 H new ATOM 0 HD3 PRO A 132 -4.895 8.703 -30.459 1.00 28.57 H new ATOM 2160 N ALA A 133 -6.491 12.393 -32.428 1.00 29.82 N ATOM 2161 CA ALA A 133 -7.094 13.035 -33.598 1.00 30.39 C ATOM 2162 C ALA A 133 -6.256 12.812 -34.854 1.00 30.54 C ATOM 2163 O ALA A 133 -6.284 13.618 -35.787 1.00 30.82 O ATOM 2164 CB ALA A 133 -7.301 14.525 -33.346 1.00 30.73 C ATOM 0 H ALA A 133 -7.053 11.637 -32.038 1.00 29.82 H new ATOM 0 HA ALA A 133 -8.067 12.572 -33.765 1.00 30.39 H new ATOM 0 HB1 ALA A 133 -7.750 14.984 -34.227 1.00 30.73 H new ATOM 0 HB2 ALA A 133 -7.961 14.661 -32.490 1.00 30.73 H new ATOM 0 HB3 ALA A 133 -6.340 14.996 -33.141 1.00 30.73 H new ATOM 2170 N LEU A 134 -5.528 11.708 -34.880 1.00 30.43 N ATOM 2171 CA LEU A 134 -4.706 11.360 -36.025 1.00 30.66 C ATOM 2172 C LEU A 134 -4.832 9.873 -36.333 1.00 30.82 C ATOM 2173 O LEU A 134 -5.130 9.528 -37.493 1.00 31.05 O ATOM 2174 CB LEU A 134 -3.240 11.781 -35.802 1.00 30.92 C ATOM 2175 CG LEU A 134 -2.580 11.321 -34.493 1.00 30.78 C ATOM 2176 CD1 LEU A 134 -1.924 9.955 -34.654 1.00 31.20 C ATOM 2177 CD2 LEU A 134 -1.559 12.348 -34.027 1.00 30.60 C ATOM 0 H LEU A 134 -5.490 11.034 -34.115 1.00 30.43 H new ATOM 0 HA LEU A 134 -5.065 11.911 -36.894 1.00 30.66 H new ATOM 0 HB2 LEU A 134 -2.647 11.401 -36.634 1.00 30.92 H new ATOM 0 HB3 LEU A 134 -3.188 12.869 -35.845 1.00 30.92 H new ATOM 0 HG LEU A 134 -3.360 11.230 -33.737 1.00 30.78 H new ATOM 0 HD11 LEU A 134 -1.466 9.658 -33.711 1.00 31.20 H new ATOM 0 HD12 LEU A 134 -2.678 9.221 -34.939 1.00 31.20 H new ATOM 0 HD13 LEU A 134 -1.158 10.008 -35.428 1.00 31.20 H new ATOM 0 HD21 LEU A 134 -1.099 12.009 -33.099 1.00 30.60 H new ATOM 0 HD22 LEU A 134 -0.790 12.468 -34.790 1.00 30.60 H new ATOM 0 HD23 LEU A 134 -2.055 13.304 -33.858 1.00 30.60 H new ATOM 2189 N HIS A 135 -4.682 9.052 -35.405 1.00 30.79 N TER 2190 HIS A 135