USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 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 96 GLN : amide:sc= 0.903 K(o=2,f=-0.3) USER MOD Set 1.2: A 102 SER OG : rot -57:sc= 1.07 USER MOD Set 2.1: A 95 THR OG1 : rot 101:sc= 1.2 USER MOD Set 2.2: A 128 ASN : amide:sc= 1.65 K(o=2.8,f=-0.92!) USER MOD Set 3.1: A 82 THR OG1 : rot 106:sc= 1.01 USER MOD Set 3.2: A 84 GLN : amide:sc= 0.595 X(o=1.6,f=1.4) USER MOD Set 4.1: A 78 TYR OH : rot 180:sc= -0.105 USER MOD Set 4.2: A 94 TYR OH : rot 99:sc= 1.32 USER MOD Set 5.1: A 34 GLN : amide:sc= 2.2 K(o=3,f=-4.3!) USER MOD Set 5.2: A 38 ASN : amide:sc= 0.81 K(o=3,f=-5.7) USER MOD Set 6.1: A 11 HIS : no HE2:sc= 1.2 K(o=3.2,f=-8.8!) USER MOD Set 6.2: A 54 ASN : amide:sc= 0.268 K(o=3.2,f=-0.83!) USER MOD Set 6.3: A 123 TYR OH : rot -166:sc= 1.69 USER MOD Set 7.1: A 1 GLN : amide:sc= -2.12! C(o=-1.6!,f=-2.3!) USER MOD Set 7.2: A 2 ASN : amide:sc= 0.514 K(o=-1.6,f=-6.1!) USER MOD Single : A 1 GLN N :NH3+ 168:sc= 1.13 (180deg=0.566) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 5 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.38) USER MOD Single : A 7 TYR OH : rot -47:sc= 0.768 USER MOD Single : A 12 ASN : amide:sc= 0.279 K(o=0.28,f=-5.1!) USER MOD Single : A 17 GLN : amide:sc= 0.613 K(o=0.61,f=-5.2!) USER MOD Single : A 23 MET CE :methyl -164:sc=-0.00829 (180deg=-0.189) USER MOD Single : A 24 SER OG : rot 72:sc= 0.887 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 31 SER OG : rot -40:sc= 0.829 USER MOD Single : A 35 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.29) USER MOD Single : A 36 TYR OH : rot 126:sc= 1.27 USER MOD Single : A 39 SER OG : rot -75:sc= 1.03 USER MOD Single : A 45 ASN : amide:sc= -0.0909 K(o=-0.091,f=-1.6) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 46:sc= 0.362 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.716 USER MOD Single : A 69 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.01) USER MOD Single : A 73 SER OG : rot 70:sc= 1.11 USER MOD Single : A 77 SER OG : rot 2:sc= 1.16 USER MOD Single : A 79 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.012) USER MOD Single : A 80 TYR OH : rot 40:sc= 0.733 USER MOD Single : A 83 ASN : amide:sc= 1.21 K(o=1.2,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= 1.08 (180deg=0.982) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0438 (180deg=-0.701) USER MOD Single : A 93 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 101 ASN : amide:sc= 0.177 X(o=0.18,f=-8.3e-05) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 114 ASN : amide:sc= -1.19 K(o=-1.2,f=-9.8!) USER MOD Single : A 120 SER OG : rot 170:sc= 0.756 USER MOD Single : A 122 ASN : amide:sc= 0.439 K(o=0.44,f=-1.8!) USER MOD Single : A 132 GLN : amide:sc= 0.405 K(o=0.41,f=-0.23) USER MOD Single : A 135 TYR OH : rot 28:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -6.567 8.889 6.059 1.00 1.78 N ATOM 2 CA GLN A 1 -5.505 9.164 5.080 1.00 1.04 C ATOM 3 C GLN A 1 -4.250 8.278 5.212 1.00 1.00 C ATOM 4 O GLN A 1 -3.810 7.731 4.197 1.00 1.22 O ATOM 5 CB GLN A 1 -5.342 10.652 4.775 1.00 1.30 C ATOM 6 CG GLN A 1 -3.876 10.972 4.854 1.00 3.60 C ATOM 7 CD GLN A 1 -3.548 12.444 4.691 1.00 4.48 C ATOM 8 OE1 GLN A 1 -4.434 13.292 4.649 1.00 4.17 O ATOM 9 NE2 GLN A 1 -2.271 12.762 4.591 1.00 6.12 N ATOM 0 H1 GLN A 1 -7.273 9.652 6.029 1.00 1.78 H new ATOM 0 H2 GLN A 1 -7.025 7.984 5.829 1.00 1.78 H new ATOM 0 H3 GLN A 1 -6.155 8.836 7.012 1.00 1.78 H new ATOM 0 HA GLN A 1 -5.852 8.793 4.116 1.00 1.04 H new ATOM 0 HB2 GLN A 1 -5.732 10.885 3.784 1.00 1.30 H new ATOM 0 HB3 GLN A 1 -5.905 11.253 5.489 1.00 1.30 H new ATOM 0 HG2 GLN A 1 -3.493 10.631 5.816 1.00 3.60 H new ATOM 0 HG3 GLN A 1 -3.351 10.407 4.084 1.00 3.60 H new ATOM 0 HE21 GLN A 1 -1.559 12.032 4.630 1.00 6.12 H new ATOM 0 HE22 GLN A 1 -1.996 13.737 4.475 1.00 6.12 H new ATOM 20 N ASN A 2 -3.604 8.232 6.381 1.00 1.09 N ATOM 21 CA ASN A 2 -2.279 7.636 6.554 1.00 1.25 C ATOM 22 C ASN A 2 -2.311 6.736 7.788 1.00 1.28 C ATOM 23 O ASN A 2 -1.694 7.051 8.806 1.00 2.50 O ATOM 24 CB ASN A 2 -1.180 8.709 6.678 1.00 1.72 C ATOM 25 CG ASN A 2 -0.794 9.423 5.384 1.00 2.18 C ATOM 26 OD1 ASN A 2 -1.262 9.107 4.295 1.00 3.61 O ATOM 27 ND2 ASN A 2 0.049 10.447 5.460 1.00 2.39 N ATOM 0 H ASN A 2 -3.993 8.613 7.244 1.00 1.09 H new ATOM 0 HA ASN A 2 -2.034 7.046 5.671 1.00 1.25 H new ATOM 0 HB2 ASN A 2 -1.510 9.457 7.398 1.00 1.72 H new ATOM 0 HB3 ASN A 2 -0.287 8.240 7.092 1.00 1.72 H new ATOM 0 HD21 ASN A 2 0.302 10.963 4.617 1.00 2.39 H new ATOM 0 HD22 ASN A 2 0.443 10.717 6.361 1.00 2.39 H new ATOM 34 N SER A 3 -3.085 5.656 7.748 1.00 0.94 N ATOM 35 CA SER A 3 -3.230 4.685 8.826 1.00 0.81 C ATOM 36 C SER A 3 -3.444 3.296 8.205 1.00 0.81 C ATOM 37 O SER A 3 -3.783 3.212 7.024 1.00 1.05 O ATOM 38 CB SER A 3 -4.398 5.122 9.721 1.00 0.87 C ATOM 39 OG SER A 3 -4.281 6.508 10.011 1.00 1.64 O ATOM 0 H SER A 3 -3.650 5.425 6.931 1.00 0.94 H new ATOM 0 HA SER A 3 -2.338 4.633 9.450 1.00 0.81 H new ATOM 0 HB2 SER A 3 -5.346 4.923 9.222 1.00 0.87 H new ATOM 0 HB3 SER A 3 -4.397 4.545 10.646 1.00 0.87 H new ATOM 0 HG SER A 3 -5.028 6.787 10.581 1.00 1.64 H new ATOM 45 N PRO A 4 -3.223 2.187 8.928 1.00 0.77 N ATOM 46 CA PRO A 4 -3.419 0.852 8.377 1.00 0.84 C ATOM 47 C PRO A 4 -4.796 0.677 7.725 1.00 0.69 C ATOM 48 O PRO A 4 -4.889 0.232 6.580 1.00 0.65 O ATOM 49 CB PRO A 4 -3.166 -0.136 9.522 1.00 1.05 C ATOM 50 CG PRO A 4 -3.002 0.715 10.782 1.00 0.91 C ATOM 51 CD PRO A 4 -2.691 2.124 10.278 1.00 0.84 C ATOM 0 HA PRO A 4 -2.721 0.668 7.561 1.00 0.84 H new ATOM 0 HB2 PRO A 4 -3.997 -0.833 9.627 1.00 1.05 H new ATOM 0 HB3 PRO A 4 -2.273 -0.731 9.334 1.00 1.05 H new ATOM 0 HG2 PRO A 4 -3.910 0.704 11.385 1.00 0.91 H new ATOM 0 HG3 PRO A 4 -2.197 0.335 11.411 1.00 0.91 H new ATOM 0 HD2 PRO A 4 -3.152 2.878 10.916 1.00 0.84 H new ATOM 0 HD3 PRO A 4 -1.618 2.314 10.285 1.00 0.84 H new ATOM 59 N GLN A 5 -5.873 1.042 8.424 1.00 0.70 N ATOM 60 CA GLN A 5 -7.222 0.951 7.885 1.00 0.71 C ATOM 61 C GLN A 5 -7.478 1.898 6.711 1.00 0.56 C ATOM 62 O GLN A 5 -8.547 1.809 6.119 1.00 0.81 O ATOM 63 CB GLN A 5 -8.291 1.067 8.979 1.00 1.01 C ATOM 64 CG GLN A 5 -8.592 -0.302 9.607 1.00 2.84 C ATOM 65 CD GLN A 5 -7.379 -0.937 10.276 1.00 3.89 C ATOM 66 OE1 GLN A 5 -6.645 -0.270 11.007 1.00 4.00 O ATOM 67 NE2 GLN A 5 -7.168 -2.229 10.074 1.00 5.67 N ATOM 0 H GLN A 5 -5.830 1.407 9.375 1.00 0.70 H new ATOM 0 HA GLN A 5 -7.305 -0.052 7.466 1.00 0.71 H new ATOM 0 HB2 GLN A 5 -7.952 1.758 9.751 1.00 1.01 H new ATOM 0 HB3 GLN A 5 -9.204 1.485 8.556 1.00 1.01 H new ATOM 0 HG2 GLN A 5 -9.387 -0.189 10.344 1.00 2.84 H new ATOM 0 HG3 GLN A 5 -8.966 -0.974 8.835 1.00 2.84 H new ATOM 0 HE21 GLN A 5 -7.791 -2.758 9.464 1.00 5.67 H new ATOM 0 HE22 GLN A 5 -6.383 -2.695 10.529 1.00 5.67 H new ATOM 76 N ASP A 6 -6.554 2.768 6.299 1.00 0.53 N ATOM 77 CA ASP A 6 -6.718 3.425 5.006 1.00 0.65 C ATOM 78 C ASP A 6 -6.544 2.367 3.942 1.00 0.67 C ATOM 79 O ASP A 6 -7.465 2.062 3.183 1.00 0.82 O ATOM 80 CB ASP A 6 -5.675 4.523 4.775 1.00 1.03 C ATOM 81 CG ASP A 6 -6.038 5.749 5.551 1.00 1.25 C ATOM 82 OD1 ASP A 6 -6.888 6.511 5.066 1.00 2.04 O ATOM 83 OD2 ASP A 6 -5.511 5.944 6.659 1.00 2.10 O ATOM 0 H ASP A 6 -5.716 3.026 6.820 1.00 0.53 H new ATOM 0 HA ASP A 6 -7.701 3.894 4.973 1.00 0.65 H new ATOM 0 HB2 ASP A 6 -4.690 4.169 5.079 1.00 1.03 H new ATOM 0 HB3 ASP A 6 -5.615 4.760 3.713 1.00 1.03 H new ATOM 88 N TYR A 7 -5.340 1.803 3.916 1.00 0.62 N ATOM 89 CA TYR A 7 -4.974 0.774 2.973 1.00 0.68 C ATOM 90 C TYR A 7 -5.973 -0.360 3.053 1.00 0.63 C ATOM 91 O TYR A 7 -6.606 -0.708 2.058 1.00 0.67 O ATOM 92 CB TYR A 7 -3.551 0.295 3.274 1.00 0.68 C ATOM 93 CG TYR A 7 -2.560 1.022 2.409 1.00 1.07 C ATOM 94 CD1 TYR A 7 -2.223 2.357 2.694 1.00 1.22 C ATOM 95 CD2 TYR A 7 -2.286 0.490 1.140 1.00 2.84 C ATOM 96 CE1 TYR A 7 -1.709 3.180 1.681 1.00 1.66 C ATOM 97 CE2 TYR A 7 -1.777 1.315 0.137 1.00 3.57 C ATOM 98 CZ TYR A 7 -1.553 2.674 0.384 1.00 2.71 C ATOM 99 OH TYR A 7 -1.388 3.518 -0.666 1.00 3.89 O ATOM 0 H TYR A 7 -4.590 2.056 4.559 1.00 0.62 H new ATOM 0 HA TYR A 7 -4.991 1.167 1.956 1.00 0.68 H new ATOM 0 HB2 TYR A 7 -3.318 0.464 4.325 1.00 0.68 H new ATOM 0 HB3 TYR A 7 -3.477 -0.778 3.100 1.00 0.68 H new ATOM 0 HD1 TYR A 7 -2.360 2.748 3.691 1.00 1.22 H new ATOM 0 HD2 TYR A 7 -2.469 -0.556 0.940 1.00 2.84 H new ATOM 0 HE1 TYR A 7 -1.434 4.201 1.900 1.00 1.66 H new ATOM 0 HE2 TYR A 7 -1.554 0.902 -0.836 1.00 3.57 H new ATOM 0 HH TYR A 7 -2.058 4.232 -0.621 1.00 3.89 H new ATOM 109 N LEU A 8 -6.106 -0.923 4.244 1.00 0.53 N ATOM 110 CA LEU A 8 -6.959 -2.062 4.476 1.00 0.50 C ATOM 111 C LEU A 8 -8.412 -1.743 4.149 1.00 0.50 C ATOM 112 O LEU A 8 -9.083 -2.594 3.576 1.00 0.61 O ATOM 113 CB LEU A 8 -6.756 -2.552 5.906 1.00 0.46 C ATOM 114 CG LEU A 8 -5.397 -3.234 6.106 1.00 0.40 C ATOM 115 CD1 LEU A 8 -5.308 -3.657 7.567 1.00 0.45 C ATOM 116 CD2 LEU A 8 -5.198 -4.456 5.209 1.00 0.87 C ATOM 0 H LEU A 8 -5.619 -0.595 5.078 1.00 0.53 H new ATOM 0 HA LEU A 8 -6.684 -2.874 3.803 1.00 0.50 H new ATOM 0 HB2 LEU A 8 -6.840 -1.708 6.591 1.00 0.46 H new ATOM 0 HB3 LEU A 8 -7.551 -3.252 6.163 1.00 0.46 H new ATOM 0 HG LEU A 8 -4.615 -2.525 5.835 1.00 0.40 H new ATOM 0 HD11 LEU A 8 -4.351 -4.147 7.746 1.00 0.45 H new ATOM 0 HD12 LEU A 8 -5.391 -2.778 8.206 1.00 0.45 H new ATOM 0 HD13 LEU A 8 -6.119 -4.349 7.795 1.00 0.45 H new ATOM 0 HD21 LEU A 8 -4.217 -4.892 5.400 1.00 0.87 H new ATOM 0 HD22 LEU A 8 -5.971 -5.194 5.423 1.00 0.87 H new ATOM 0 HD23 LEU A 8 -5.264 -4.155 4.164 1.00 0.87 H new ATOM 128 N ALA A 9 -8.918 -0.544 4.455 1.00 0.44 N ATOM 129 CA ALA A 9 -10.257 -0.193 4.005 1.00 0.43 C ATOM 130 C ALA A 9 -10.334 -0.280 2.492 1.00 0.41 C ATOM 131 O ALA A 9 -11.074 -1.110 1.995 1.00 0.53 O ATOM 132 CB ALA A 9 -10.694 1.197 4.452 1.00 0.49 C ATOM 0 H ALA A 9 -8.435 0.175 4.994 1.00 0.44 H new ATOM 0 HA ALA A 9 -10.937 -0.909 4.466 1.00 0.43 H new ATOM 0 HB1 ALA A 9 -11.700 1.398 4.084 1.00 0.49 H new ATOM 0 HB2 ALA A 9 -10.689 1.248 5.541 1.00 0.49 H new ATOM 0 HB3 ALA A 9 -10.006 1.941 4.051 1.00 0.49 H new ATOM 138 N VAL A 10 -9.593 0.554 1.758 1.00 0.35 N ATOM 139 CA VAL A 10 -9.768 0.630 0.309 1.00 0.37 C ATOM 140 C VAL A 10 -9.559 -0.751 -0.328 1.00 0.36 C ATOM 141 O VAL A 10 -10.291 -1.145 -1.235 1.00 0.39 O ATOM 142 CB VAL A 10 -8.843 1.692 -0.314 1.00 0.40 C ATOM 143 CG1 VAL A 10 -9.118 1.807 -1.821 1.00 0.48 C ATOM 144 CG2 VAL A 10 -9.048 3.083 0.297 1.00 0.42 C ATOM 0 H VAL A 10 -8.878 1.176 2.137 1.00 0.35 H new ATOM 0 HA VAL A 10 -10.792 0.943 0.104 1.00 0.37 H new ATOM 0 HB VAL A 10 -7.822 1.365 -0.115 1.00 0.40 H new ATOM 0 HG11 VAL A 10 -8.460 2.560 -2.255 1.00 0.48 H new ATOM 0 HG12 VAL A 10 -8.933 0.845 -2.299 1.00 0.48 H new ATOM 0 HG13 VAL A 10 -10.156 2.098 -1.980 1.00 0.48 H new ATOM 0 HG21 VAL A 10 -8.371 3.793 -0.179 1.00 0.42 H new ATOM 0 HG22 VAL A 10 -10.078 3.402 0.138 1.00 0.42 H new ATOM 0 HG23 VAL A 10 -8.841 3.045 1.366 1.00 0.42 H new ATOM 154 N HIS A 11 -8.553 -1.491 0.138 1.00 0.33 N ATOM 155 CA HIS A 11 -8.303 -2.834 -0.350 1.00 0.32 C ATOM 156 C HIS A 11 -9.505 -3.732 -0.088 1.00 0.32 C ATOM 157 O HIS A 11 -9.991 -4.381 -1.008 1.00 0.35 O ATOM 158 CB HIS A 11 -7.057 -3.428 0.300 1.00 0.33 C ATOM 159 CG HIS A 11 -5.779 -2.880 -0.268 1.00 0.42 C ATOM 160 ND1 HIS A 11 -5.388 -1.563 -0.265 1.00 0.64 N ATOM 161 CD2 HIS A 11 -4.882 -3.579 -1.025 1.00 0.48 C ATOM 162 CE1 HIS A 11 -4.278 -1.471 -1.017 1.00 0.84 C ATOM 163 NE2 HIS A 11 -3.930 -2.674 -1.502 1.00 0.73 N ATOM 0 H HIS A 11 -7.900 -1.176 0.855 1.00 0.33 H new ATOM 0 HA HIS A 11 -8.136 -2.773 -1.425 1.00 0.32 H new ATOM 0 HB2 HIS A 11 -7.085 -3.232 1.372 1.00 0.33 H new ATOM 0 HB3 HIS A 11 -7.069 -4.511 0.174 1.00 0.33 H new ATOM 0 HD1 HIS A 11 -5.854 -0.796 0.219 1.00 0.64 H new ATOM 0 HD2 HIS A 11 -4.905 -4.641 -1.220 1.00 0.48 H new ATOM 0 HE1 HIS A 11 -3.739 -0.554 -1.206 1.00 0.84 H new ATOM 171 N ASN A 12 -9.969 -3.797 1.157 1.00 0.40 N ATOM 172 CA ASN A 12 -11.092 -4.651 1.518 1.00 0.51 C ATOM 173 C ASN A 12 -12.326 -4.232 0.722 1.00 0.52 C ATOM 174 O ASN A 12 -13.054 -5.090 0.247 1.00 0.53 O ATOM 175 CB ASN A 12 -11.345 -4.658 3.034 1.00 0.74 C ATOM 176 CG ASN A 12 -10.244 -5.378 3.819 1.00 0.85 C ATOM 177 OD1 ASN A 12 -9.493 -6.190 3.280 1.00 1.58 O ATOM 178 ND2 ASN A 12 -10.117 -5.107 5.112 1.00 0.89 N ATOM 0 H ASN A 12 -9.581 -3.264 1.935 1.00 0.40 H new ATOM 0 HA ASN A 12 -10.850 -5.681 1.257 1.00 0.51 H new ATOM 0 HB2 ASN A 12 -11.424 -3.630 3.389 1.00 0.74 H new ATOM 0 HB3 ASN A 12 -12.302 -5.140 3.235 1.00 0.74 H new ATOM 0 HD21 ASN A 12 -9.395 -5.572 5.662 1.00 0.89 H new ATOM 0 HD22 ASN A 12 -10.741 -4.433 5.556 1.00 0.89 H new ATOM 185 N ASP A 13 -12.528 -2.931 0.512 1.00 0.57 N ATOM 186 CA ASP A 13 -13.575 -2.353 -0.325 1.00 0.66 C ATOM 187 C ASP A 13 -13.515 -2.944 -1.728 1.00 0.62 C ATOM 188 O ASP A 13 -14.499 -3.491 -2.218 1.00 0.68 O ATOM 189 CB ASP A 13 -13.422 -0.823 -0.373 1.00 0.76 C ATOM 190 CG ASP A 13 -14.697 -0.027 -0.230 1.00 0.97 C ATOM 191 OD1 ASP A 13 -15.343 -0.124 0.834 1.00 2.37 O ATOM 192 OD2 ASP A 13 -14.958 0.803 -1.127 1.00 1.21 O ATOM 0 H ASP A 13 -11.937 -2.219 0.942 1.00 0.57 H new ATOM 0 HA ASP A 13 -14.548 -2.592 0.105 1.00 0.66 H new ATOM 0 HB2 ASP A 13 -12.737 -0.521 0.419 1.00 0.76 H new ATOM 0 HB3 ASP A 13 -12.953 -0.554 -1.319 1.00 0.76 H new ATOM 197 N ALA A 14 -12.367 -2.823 -2.389 1.00 0.59 N ATOM 198 CA ALA A 14 -12.175 -3.324 -3.742 1.00 0.63 C ATOM 199 C ALA A 14 -12.367 -4.839 -3.788 1.00 0.55 C ATOM 200 O ALA A 14 -13.116 -5.360 -4.610 1.00 0.75 O ATOM 201 CB ALA A 14 -10.800 -2.896 -4.256 1.00 0.65 C ATOM 0 H ALA A 14 -11.541 -2.372 -1.997 1.00 0.59 H new ATOM 0 HA ALA A 14 -12.927 -2.893 -4.403 1.00 0.63 H new ATOM 0 HB1 ALA A 14 -10.657 -3.272 -5.269 1.00 0.65 H new ATOM 0 HB2 ALA A 14 -10.736 -1.808 -4.260 1.00 0.65 H new ATOM 0 HB3 ALA A 14 -10.026 -3.303 -3.606 1.00 0.65 H new ATOM 207 N ARG A 15 -11.725 -5.566 -2.882 1.00 0.38 N ATOM 208 CA ARG A 15 -11.895 -7.005 -2.764 1.00 0.39 C ATOM 209 C ARG A 15 -13.373 -7.345 -2.546 1.00 0.48 C ATOM 210 O ARG A 15 -13.886 -8.299 -3.119 1.00 0.60 O ATOM 211 CB ARG A 15 -10.949 -7.550 -1.682 1.00 0.40 C ATOM 212 CG ARG A 15 -9.513 -7.428 -2.221 1.00 0.42 C ATOM 213 CD ARG A 15 -8.411 -7.811 -1.224 1.00 0.74 C ATOM 214 NE ARG A 15 -7.823 -9.126 -1.532 1.00 1.43 N ATOM 215 CZ ARG A 15 -7.205 -9.927 -0.653 1.00 2.01 C ATOM 216 NH1 ARG A 15 -7.054 -9.532 0.605 1.00 2.49 N ATOM 217 NH2 ARG A 15 -6.724 -11.106 -1.028 1.00 3.11 N ATOM 0 H ARG A 15 -11.070 -5.171 -2.207 1.00 0.38 H new ATOM 0 HA ARG A 15 -11.614 -7.506 -3.691 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -11.060 -6.986 -0.756 1.00 0.40 H new ATOM 0 HB3 ARG A 15 -11.186 -8.589 -1.453 1.00 0.40 H new ATOM 0 HG2 ARG A 15 -9.418 -8.059 -3.105 1.00 0.42 H new ATOM 0 HG3 ARG A 15 -9.348 -6.400 -2.544 1.00 0.42 H new ATOM 0 HD2 ARG A 15 -7.629 -7.052 -1.238 1.00 0.74 H new ATOM 0 HD3 ARG A 15 -8.823 -7.825 -0.215 1.00 0.74 H new ATOM 0 HE ARG A 15 -7.892 -9.455 -2.495 1.00 1.43 H new ATOM 0 HH11 ARG A 15 -7.408 -8.622 0.900 1.00 2.49 H new ATOM 0 HH12 ARG A 15 -6.584 -10.139 1.277 1.00 2.49 H new ATOM 0 HH21 ARG A 15 -6.822 -11.413 -1.996 1.00 3.11 H new ATOM 0 HH22 ARG A 15 -6.256 -11.705 -0.348 1.00 3.11 H new ATOM 231 N ALA A 16 -14.094 -6.521 -1.797 1.00 0.45 N ATOM 232 CA ALA A 16 -15.513 -6.678 -1.547 1.00 0.56 C ATOM 233 C ALA A 16 -16.366 -6.336 -2.769 1.00 0.64 C ATOM 234 O ALA A 16 -17.542 -6.702 -2.812 1.00 1.09 O ATOM 235 CB ALA A 16 -15.907 -5.829 -0.342 1.00 0.86 C ATOM 0 H ALA A 16 -13.693 -5.704 -1.336 1.00 0.45 H new ATOM 0 HA ALA A 16 -15.706 -7.729 -1.332 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -16.974 -5.943 -0.149 1.00 0.86 H new ATOM 0 HB2 ALA A 16 -15.343 -6.155 0.532 1.00 0.86 H new ATOM 0 HB3 ALA A 16 -15.686 -4.782 -0.547 1.00 0.86 H new ATOM 241 N GLN A 17 -15.824 -5.631 -3.764 1.00 0.57 N ATOM 242 CA GLN A 17 -16.509 -5.422 -5.035 1.00 0.69 C ATOM 243 C GLN A 17 -16.497 -6.729 -5.825 1.00 0.82 C ATOM 244 O GLN A 17 -17.536 -7.164 -6.314 1.00 1.36 O ATOM 245 CB GLN A 17 -15.896 -4.244 -5.805 1.00 0.73 C ATOM 246 CG GLN A 17 -16.195 -2.925 -5.080 1.00 1.13 C ATOM 247 CD GLN A 17 -15.260 -1.813 -5.525 1.00 1.30 C ATOM 248 OE1 GLN A 17 -14.995 -1.644 -6.715 1.00 2.24 O ATOM 249 NE2 GLN A 17 -14.723 -1.052 -4.581 1.00 1.65 N ATOM 0 H GLN A 17 -14.904 -5.193 -3.710 1.00 0.57 H new ATOM 0 HA GLN A 17 -17.549 -5.147 -4.860 1.00 0.69 H new ATOM 0 HB2 GLN A 17 -14.819 -4.381 -5.897 1.00 0.73 H new ATOM 0 HB3 GLN A 17 -16.300 -4.211 -6.817 1.00 0.73 H new ATOM 0 HG2 GLN A 17 -17.227 -2.631 -5.271 1.00 1.13 H new ATOM 0 HG3 GLN A 17 -16.100 -3.072 -4.004 1.00 1.13 H new ATOM 0 HE21 GLN A 17 -14.959 -1.212 -3.602 1.00 1.65 H new ATOM 0 HE22 GLN A 17 -14.074 -0.307 -4.834 1.00 1.65 H new ATOM 258 N VAL A 18 -15.356 -7.415 -5.854 1.00 0.51 N ATOM 259 CA VAL A 18 -15.194 -8.644 -6.626 1.00 0.51 C ATOM 260 C VAL A 18 -15.485 -9.895 -5.791 1.00 0.57 C ATOM 261 O VAL A 18 -15.565 -10.994 -6.337 1.00 0.92 O ATOM 262 CB VAL A 18 -13.805 -8.676 -7.287 1.00 0.52 C ATOM 263 CG1 VAL A 18 -13.798 -7.743 -8.497 1.00 0.62 C ATOM 264 CG2 VAL A 18 -12.677 -8.202 -6.361 1.00 0.51 C ATOM 0 H VAL A 18 -14.519 -7.134 -5.343 1.00 0.51 H new ATOM 0 HA VAL A 18 -15.938 -8.649 -7.422 1.00 0.51 H new ATOM 0 HB VAL A 18 -13.624 -9.717 -7.554 1.00 0.52 H new ATOM 0 HG11 VAL A 18 -12.815 -7.764 -8.967 1.00 0.62 H new ATOM 0 HG12 VAL A 18 -14.550 -8.072 -9.214 1.00 0.62 H new ATOM 0 HG13 VAL A 18 -14.024 -6.727 -8.174 1.00 0.62 H new ATOM 0 HG21 VAL A 18 -11.726 -8.251 -6.892 1.00 0.51 H new ATOM 0 HG22 VAL A 18 -12.868 -7.174 -6.052 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -12.635 -8.844 -5.481 1.00 0.51 H new ATOM 274 N GLY A 19 -15.723 -9.740 -4.491 1.00 0.53 N ATOM 275 CA GLY A 19 -16.067 -10.841 -3.609 1.00 0.57 C ATOM 276 C GLY A 19 -14.852 -11.741 -3.415 1.00 0.65 C ATOM 277 O GLY A 19 -14.923 -12.951 -3.619 1.00 0.96 O ATOM 0 H GLY A 19 -15.681 -8.836 -4.020 1.00 0.53 H new ATOM 0 HA2 GLY A 19 -16.405 -10.457 -2.646 1.00 0.57 H new ATOM 0 HA3 GLY A 19 -16.893 -11.414 -4.031 1.00 0.57 H new ATOM 281 N VAL A 20 -13.727 -11.131 -3.054 1.00 0.57 N ATOM 282 CA VAL A 20 -12.466 -11.790 -2.756 1.00 0.62 C ATOM 283 C VAL A 20 -12.270 -11.748 -1.234 1.00 0.77 C ATOM 284 O VAL A 20 -12.979 -11.024 -0.533 1.00 1.00 O ATOM 285 CB VAL A 20 -11.350 -11.072 -3.538 1.00 0.57 C ATOM 286 CG1 VAL A 20 -9.968 -11.671 -3.271 1.00 0.87 C ATOM 287 CG2 VAL A 20 -11.574 -11.148 -5.054 1.00 0.58 C ATOM 0 H VAL A 20 -13.670 -10.117 -2.958 1.00 0.57 H new ATOM 0 HA VAL A 20 -12.449 -12.836 -3.064 1.00 0.62 H new ATOM 0 HB VAL A 20 -11.387 -10.040 -3.190 1.00 0.57 H new ATOM 0 HG11 VAL A 20 -9.219 -11.128 -3.847 1.00 0.87 H new ATOM 0 HG12 VAL A 20 -9.736 -11.593 -2.209 1.00 0.87 H new ATOM 0 HG13 VAL A 20 -9.963 -12.720 -3.567 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -10.765 -10.629 -5.568 1.00 0.58 H new ATOM 0 HG22 VAL A 20 -11.593 -12.192 -5.367 1.00 0.58 H new ATOM 0 HG23 VAL A 20 -12.524 -10.677 -5.305 1.00 0.58 H new ATOM 297 N GLY A 21 -11.334 -12.532 -0.699 1.00 0.97 N ATOM 298 CA GLY A 21 -10.973 -12.463 0.711 1.00 1.19 C ATOM 299 C GLY A 21 -10.426 -11.077 1.073 1.00 0.90 C ATOM 300 O GLY A 21 -9.864 -10.412 0.203 1.00 0.87 O ATOM 0 H GLY A 21 -10.809 -13.228 -1.230 1.00 0.97 H new ATOM 0 HA2 GLY A 21 -11.846 -12.684 1.325 1.00 1.19 H new ATOM 0 HA3 GLY A 21 -10.225 -13.223 0.936 1.00 1.19 H new ATOM 304 N PRO A 22 -10.573 -10.625 2.326 1.00 0.90 N ATOM 305 CA PRO A 22 -10.000 -9.375 2.801 1.00 0.86 C ATOM 306 C PRO A 22 -8.534 -9.597 3.203 1.00 0.86 C ATOM 307 O PRO A 22 -7.943 -10.627 2.867 1.00 1.04 O ATOM 308 CB PRO A 22 -10.884 -8.989 3.991 1.00 0.94 C ATOM 309 CG PRO A 22 -11.249 -10.348 4.589 1.00 1.02 C ATOM 310 CD PRO A 22 -11.334 -11.275 3.377 1.00 1.07 C ATOM 0 HA PRO A 22 -9.982 -8.584 2.052 1.00 0.86 H new ATOM 0 HB2 PRO A 22 -10.351 -8.362 4.705 1.00 0.94 H new ATOM 0 HB3 PRO A 22 -11.768 -8.434 3.676 1.00 0.94 H new ATOM 0 HG2 PRO A 22 -10.495 -10.687 5.299 1.00 1.02 H new ATOM 0 HG3 PRO A 22 -12.196 -10.306 5.127 1.00 1.02 H new ATOM 0 HD2 PRO A 22 -10.922 -12.258 3.607 1.00 1.07 H new ATOM 0 HD3 PRO A 22 -12.370 -11.427 3.073 1.00 1.07 H new ATOM 318 N MET A 23 -7.907 -8.620 3.866 1.00 0.78 N ATOM 319 CA MET A 23 -6.554 -8.753 4.397 1.00 0.75 C ATOM 320 C MET A 23 -6.385 -8.031 5.731 1.00 0.73 C ATOM 321 O MET A 23 -7.197 -7.179 6.104 1.00 0.87 O ATOM 322 CB MET A 23 -5.508 -8.259 3.386 1.00 0.76 C ATOM 323 CG MET A 23 -5.756 -6.848 2.841 1.00 0.95 C ATOM 324 SD MET A 23 -5.851 -6.684 1.046 1.00 1.33 S ATOM 325 CE MET A 23 -4.264 -7.369 0.524 1.00 1.08 C ATOM 0 H MET A 23 -8.330 -7.710 4.048 1.00 0.78 H new ATOM 0 HA MET A 23 -6.391 -9.816 4.574 1.00 0.75 H new ATOM 0 HB2 MET A 23 -4.526 -8.283 3.859 1.00 0.76 H new ATOM 0 HB3 MET A 23 -5.475 -8.956 2.549 1.00 0.76 H new ATOM 0 HG2 MET A 23 -6.688 -6.476 3.267 1.00 0.95 H new ATOM 0 HG3 MET A 23 -4.959 -6.198 3.201 1.00 0.95 H new ATOM 0 HE1 MET A 23 -4.064 -7.079 -0.507 1.00 1.08 H new ATOM 0 HE2 MET A 23 -3.473 -6.986 1.169 1.00 1.08 H new ATOM 0 HE3 MET A 23 -4.296 -8.456 0.595 1.00 1.08 H new ATOM 335 N SER A 24 -5.280 -8.356 6.402 1.00 0.68 N ATOM 336 CA SER A 24 -4.806 -7.752 7.631 1.00 0.67 C ATOM 337 C SER A 24 -3.501 -6.996 7.448 1.00 0.57 C ATOM 338 O SER A 24 -2.807 -7.124 6.437 1.00 0.64 O ATOM 339 CB SER A 24 -4.763 -8.805 8.752 1.00 0.89 C ATOM 340 OG SER A 24 -3.458 -9.281 9.035 1.00 1.01 O ATOM 0 H SER A 24 -4.658 -9.096 6.075 1.00 0.68 H new ATOM 0 HA SER A 24 -5.518 -6.985 7.936 1.00 0.67 H new ATOM 0 HB2 SER A 24 -5.188 -8.375 9.659 1.00 0.89 H new ATOM 0 HB3 SER A 24 -5.395 -9.648 8.472 1.00 0.89 H new ATOM 0 HG SER A 24 -2.945 -8.579 9.487 1.00 1.01 H new ATOM 346 N TRP A 25 -3.175 -6.219 8.475 1.00 0.52 N ATOM 347 CA TRP A 25 -1.841 -5.662 8.649 1.00 0.48 C ATOM 348 C TRP A 25 -1.026 -6.771 9.307 1.00 0.48 C ATOM 349 O TRP A 25 -1.586 -7.468 10.156 1.00 0.88 O ATOM 350 CB TRP A 25 -1.872 -4.422 9.561 1.00 0.53 C ATOM 351 CG TRP A 25 -0.970 -3.299 9.140 1.00 0.51 C ATOM 352 CD1 TRP A 25 -0.030 -2.681 9.892 1.00 0.57 C ATOM 353 CD2 TRP A 25 -0.979 -2.595 7.867 1.00 0.52 C ATOM 354 NE1 TRP A 25 0.497 -1.615 9.190 1.00 0.61 N ATOM 355 CE2 TRP A 25 -0.057 -1.510 7.932 1.00 0.55 C ATOM 356 CE3 TRP A 25 -1.703 -2.751 6.671 1.00 0.64 C ATOM 357 CZ2 TRP A 25 0.118 -0.613 6.866 1.00 0.63 C ATOM 358 CZ3 TRP A 25 -1.534 -1.867 5.598 1.00 0.72 C ATOM 359 CH2 TRP A 25 -0.640 -0.785 5.694 1.00 0.70 C ATOM 0 H TRP A 25 -3.831 -5.958 9.211 1.00 0.52 H new ATOM 0 HA TRP A 25 -1.418 -5.342 7.697 1.00 0.48 H new ATOM 0 HB2 TRP A 25 -2.895 -4.048 9.605 1.00 0.53 H new ATOM 0 HB3 TRP A 25 -1.600 -4.727 10.572 1.00 0.53 H new ATOM 0 HD1 TRP A 25 0.263 -2.976 10.889 1.00 0.57 H new ATOM 0 HE1 TRP A 25 1.209 -0.983 9.557 1.00 0.61 H new ATOM 0 HE3 TRP A 25 -2.403 -3.568 6.578 1.00 0.64 H new ATOM 0 HZ2 TRP A 25 0.826 0.199 6.945 1.00 0.63 H new ATOM 0 HZ3 TRP A 25 -2.096 -2.017 4.688 1.00 0.72 H new ATOM 0 HH2 TRP A 25 -0.536 -0.091 4.873 1.00 0.70 H new ATOM 370 N ASP A 26 0.257 -6.941 8.971 1.00 0.73 N ATOM 371 CA ASP A 26 1.131 -7.867 9.707 1.00 1.04 C ATOM 372 C ASP A 26 2.231 -7.171 10.494 1.00 1.58 C ATOM 373 O ASP A 26 3.078 -7.809 11.110 1.00 3.53 O ATOM 374 CB ASP A 26 1.675 -8.950 8.770 1.00 1.21 C ATOM 375 CG ASP A 26 2.289 -10.108 9.535 1.00 2.64 C ATOM 376 OD1 ASP A 26 1.498 -10.941 10.032 1.00 4.01 O ATOM 377 OD2 ASP A 26 3.530 -10.210 9.612 1.00 3.24 O ATOM 0 H ASP A 26 0.713 -6.454 8.200 1.00 0.73 H new ATOM 0 HA ASP A 26 0.515 -8.351 10.464 1.00 1.04 H new ATOM 0 HB2 ASP A 26 0.868 -9.321 8.137 1.00 1.21 H new ATOM 0 HB3 ASP A 26 2.424 -8.514 8.109 1.00 1.21 H new ATOM 382 N ALA A 27 2.182 -5.845 10.501 1.00 0.66 N ATOM 383 CA ALA A 27 3.167 -4.902 11.042 1.00 0.67 C ATOM 384 C ALA A 27 4.548 -5.018 10.383 1.00 0.65 C ATOM 385 O ALA A 27 5.116 -4.007 9.974 1.00 0.83 O ATOM 386 CB ALA A 27 3.246 -4.999 12.567 1.00 0.81 C ATOM 0 H ALA A 27 1.386 -5.354 10.095 1.00 0.66 H new ATOM 0 HA ALA A 27 2.809 -3.904 10.789 1.00 0.67 H new ATOM 0 HB1 ALA A 27 3.984 -4.288 12.939 1.00 0.81 H new ATOM 0 HB2 ALA A 27 2.271 -4.768 12.997 1.00 0.81 H new ATOM 0 HB3 ALA A 27 3.539 -6.009 12.853 1.00 0.81 H new ATOM 392 N ASN A 28 5.081 -6.225 10.217 1.00 0.56 N ATOM 393 CA ASN A 28 6.404 -6.469 9.665 1.00 0.60 C ATOM 394 C ASN A 28 6.464 -5.993 8.228 1.00 0.53 C ATOM 395 O ASN A 28 7.441 -5.392 7.815 1.00 0.53 O ATOM 396 CB ASN A 28 6.723 -7.966 9.693 1.00 0.66 C ATOM 397 CG ASN A 28 7.185 -8.492 11.047 1.00 0.90 C ATOM 398 OD1 ASN A 28 7.361 -7.751 12.012 1.00 1.80 O ATOM 399 ND2 ASN A 28 7.431 -9.795 11.134 1.00 1.74 N ATOM 0 H ASN A 28 4.589 -7.082 10.471 1.00 0.56 H new ATOM 0 HA ASN A 28 7.130 -5.925 10.269 1.00 0.60 H new ATOM 0 HB2 ASN A 28 5.835 -8.519 9.387 1.00 0.66 H new ATOM 0 HB3 ASN A 28 7.497 -8.173 8.954 1.00 0.66 H new ATOM 0 HD21 ASN A 28 7.770 -10.193 12.010 1.00 1.74 H new ATOM 0 HD22 ASN A 28 7.280 -10.398 10.325 1.00 1.74 H new ATOM 406 N LEU A 29 5.423 -6.231 7.433 1.00 0.54 N ATOM 407 CA LEU A 29 5.409 -5.698 6.082 1.00 0.50 C ATOM 408 C LEU A 29 5.484 -4.171 6.095 1.00 0.44 C ATOM 409 O LEU A 29 6.087 -3.575 5.209 1.00 0.49 O ATOM 410 CB LEU A 29 4.142 -6.150 5.351 1.00 0.57 C ATOM 411 CG LEU A 29 4.136 -7.616 4.909 1.00 0.71 C ATOM 412 CD1 LEU A 29 2.782 -7.877 4.252 1.00 1.13 C ATOM 413 CD2 LEU A 29 5.243 -7.920 3.893 1.00 0.56 C ATOM 0 H LEU A 29 4.601 -6.775 7.695 1.00 0.54 H new ATOM 0 HA LEU A 29 6.284 -6.081 5.557 1.00 0.50 H new ATOM 0 HB2 LEU A 29 3.285 -5.979 6.002 1.00 0.57 H new ATOM 0 HB3 LEU A 29 4.004 -5.521 4.472 1.00 0.57 H new ATOM 0 HG LEU A 29 4.309 -8.251 5.778 1.00 0.71 H new ATOM 0 HD11 LEU A 29 2.733 -8.914 3.920 1.00 1.13 H new ATOM 0 HD12 LEU A 29 1.986 -7.688 4.972 1.00 1.13 H new ATOM 0 HD13 LEU A 29 2.660 -7.215 3.394 1.00 1.13 H new ATOM 0 HD21 LEU A 29 5.198 -8.972 3.610 1.00 0.56 H new ATOM 0 HD22 LEU A 29 5.105 -7.300 3.008 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.214 -7.705 4.338 1.00 0.56 H new ATOM 425 N ALA A 30 4.867 -3.526 7.086 1.00 0.45 N ATOM 426 CA ALA A 30 4.879 -2.078 7.177 1.00 0.46 C ATOM 427 C ALA A 30 6.285 -1.608 7.543 1.00 0.45 C ATOM 428 O ALA A 30 6.823 -0.703 6.911 1.00 0.46 O ATOM 429 CB ALA A 30 3.802 -1.614 8.163 1.00 0.53 C ATOM 0 H ALA A 30 4.354 -3.991 7.835 1.00 0.45 H new ATOM 0 HA ALA A 30 4.634 -1.625 6.217 1.00 0.46 H new ATOM 0 HB1 ALA A 30 3.814 -0.526 8.229 1.00 0.53 H new ATOM 0 HB2 ALA A 30 2.824 -1.946 7.816 1.00 0.53 H new ATOM 0 HB3 ALA A 30 4.002 -2.039 9.147 1.00 0.53 H new ATOM 435 N SER A 31 6.900 -2.251 8.536 1.00 0.48 N ATOM 436 CA SER A 31 8.245 -1.929 8.958 1.00 0.53 C ATOM 437 C SER A 31 9.210 -2.090 7.779 1.00 0.52 C ATOM 438 O SER A 31 9.979 -1.187 7.457 1.00 0.55 O ATOM 439 CB SER A 31 8.583 -2.795 10.180 1.00 0.61 C ATOM 440 OG SER A 31 8.869 -4.140 9.869 1.00 1.01 O ATOM 0 H SER A 31 6.471 -3.010 9.065 1.00 0.48 H new ATOM 0 HA SER A 31 8.339 -0.888 9.268 1.00 0.53 H new ATOM 0 HB2 SER A 31 9.441 -2.361 10.693 1.00 0.61 H new ATOM 0 HB3 SER A 31 7.745 -2.764 10.877 1.00 0.61 H new ATOM 0 HG SER A 31 8.248 -4.455 9.179 1.00 1.01 H new ATOM 446 N ARG A 32 9.122 -3.235 7.106 1.00 0.52 N ATOM 447 CA ARG A 32 9.881 -3.573 5.917 1.00 0.55 C ATOM 448 C ARG A 32 9.694 -2.488 4.862 1.00 0.49 C ATOM 449 O ARG A 32 10.673 -1.916 4.398 1.00 0.58 O ATOM 450 CB ARG A 32 9.377 -4.936 5.427 1.00 0.67 C ATOM 451 CG ARG A 32 10.040 -5.478 4.177 1.00 0.90 C ATOM 452 CD ARG A 32 9.228 -6.671 3.647 1.00 2.18 C ATOM 453 NE ARG A 32 10.056 -7.541 2.804 1.00 3.17 N ATOM 454 CZ ARG A 32 11.057 -8.305 3.266 1.00 3.46 C ATOM 455 NH1 ARG A 32 11.112 -8.603 4.566 1.00 3.46 N ATOM 456 NH2 ARG A 32 11.995 -8.742 2.428 1.00 4.36 N ATOM 0 H ARG A 32 8.490 -3.982 7.392 1.00 0.52 H new ATOM 0 HA ARG A 32 10.949 -3.634 6.127 1.00 0.55 H new ATOM 0 HB2 ARG A 32 9.512 -5.661 6.230 1.00 0.67 H new ATOM 0 HB3 ARG A 32 8.305 -4.860 5.242 1.00 0.67 H new ATOM 0 HG2 ARG A 32 10.101 -4.699 3.417 1.00 0.90 H new ATOM 0 HG3 ARG A 32 11.061 -5.788 4.399 1.00 0.90 H new ATOM 0 HD2 ARG A 32 8.829 -7.244 4.484 1.00 2.18 H new ATOM 0 HD3 ARG A 32 8.375 -6.308 3.073 1.00 2.18 H new ATOM 0 HE ARG A 32 9.858 -7.566 1.804 1.00 3.17 H new ATOM 0 HH11 ARG A 32 10.396 -8.250 5.201 1.00 3.46 H new ATOM 0 HH12 ARG A 32 11.870 -9.183 4.925 1.00 3.46 H new ATOM 0 HH21 ARG A 32 11.950 -8.495 1.439 1.00 4.36 H new ATOM 0 HH22 ARG A 32 12.758 -9.323 2.775 1.00 4.36 H new ATOM 470 N ALA A 33 8.452 -2.205 4.473 1.00 0.40 N ATOM 471 CA ALA A 33 8.142 -1.216 3.452 1.00 0.43 C ATOM 472 C ALA A 33 8.775 0.130 3.803 1.00 0.48 C ATOM 473 O ALA A 33 9.375 0.780 2.944 1.00 0.53 O ATOM 474 CB ALA A 33 6.623 -1.095 3.297 1.00 0.45 C ATOM 0 H ALA A 33 7.628 -2.662 4.864 1.00 0.40 H new ATOM 0 HA ALA A 33 8.561 -1.538 2.498 1.00 0.43 H new ATOM 0 HB1 ALA A 33 6.393 -0.354 2.532 1.00 0.45 H new ATOM 0 HB2 ALA A 33 6.209 -2.060 3.003 1.00 0.45 H new ATOM 0 HB3 ALA A 33 6.184 -0.785 4.245 1.00 0.45 H new ATOM 480 N GLN A 34 8.636 0.551 5.060 1.00 0.53 N ATOM 481 CA GLN A 34 9.206 1.794 5.545 1.00 0.63 C ATOM 482 C GLN A 34 10.725 1.781 5.378 1.00 0.63 C ATOM 483 O GLN A 34 11.279 2.683 4.758 1.00 0.68 O ATOM 484 CB GLN A 34 8.785 2.012 7.006 1.00 0.75 C ATOM 485 CG GLN A 34 9.228 3.379 7.535 1.00 1.10 C ATOM 486 CD GLN A 34 8.555 4.511 6.769 1.00 1.01 C ATOM 487 OE1 GLN A 34 7.349 4.711 6.867 1.00 1.97 O ATOM 488 NE2 GLN A 34 9.292 5.247 5.952 1.00 1.60 N ATOM 0 H GLN A 34 8.120 0.031 5.770 1.00 0.53 H new ATOM 0 HA GLN A 34 8.828 2.631 4.958 1.00 0.63 H new ATOM 0 HB2 GLN A 34 7.701 1.926 7.087 1.00 0.75 H new ATOM 0 HB3 GLN A 34 9.215 1.227 7.628 1.00 0.75 H new ATOM 0 HG2 GLN A 34 8.984 3.458 8.594 1.00 1.10 H new ATOM 0 HG3 GLN A 34 10.311 3.472 7.449 1.00 1.10 H new ATOM 0 HE21 GLN A 34 10.295 5.075 5.875 1.00 1.60 H new ATOM 0 HE22 GLN A 34 8.857 5.986 5.399 1.00 1.60 H new ATOM 497 N ASN A 35 11.393 0.774 5.935 1.00 0.66 N ATOM 498 CA ASN A 35 12.833 0.566 5.798 1.00 0.73 C ATOM 499 C ASN A 35 13.282 0.642 4.342 1.00 0.73 C ATOM 500 O ASN A 35 14.182 1.404 3.992 1.00 0.78 O ATOM 501 CB ASN A 35 13.230 -0.797 6.406 1.00 0.81 C ATOM 502 CG ASN A 35 13.741 -0.687 7.836 1.00 1.08 C ATOM 503 OD1 ASN A 35 14.596 0.151 8.121 1.00 1.79 O ATOM 504 ND2 ASN A 35 13.294 -1.532 8.751 1.00 1.99 N ATOM 0 H ASN A 35 10.938 0.063 6.508 1.00 0.66 H new ATOM 0 HA ASN A 35 13.336 1.367 6.340 1.00 0.73 H new ATOM 0 HB2 ASN A 35 12.367 -1.463 6.385 1.00 0.81 H new ATOM 0 HB3 ASN A 35 14.000 -1.254 5.785 1.00 0.81 H new ATOM 0 HD21 ASN A 35 13.658 -1.493 9.703 1.00 1.99 H new ATOM 0 HD22 ASN A 35 12.585 -2.223 8.504 1.00 1.99 H new ATOM 511 N TYR A 36 12.671 -0.170 3.491 1.00 0.75 N ATOM 512 CA TYR A 36 12.950 -0.257 2.068 1.00 0.82 C ATOM 513 C TYR A 36 12.865 1.124 1.424 1.00 0.83 C ATOM 514 O TYR A 36 13.807 1.562 0.770 1.00 0.94 O ATOM 515 CB TYR A 36 11.971 -1.280 1.462 1.00 0.89 C ATOM 516 CG TYR A 36 11.634 -1.143 -0.010 1.00 0.83 C ATOM 517 CD1 TYR A 36 12.373 -1.844 -0.979 1.00 1.68 C ATOM 518 CD2 TYR A 36 10.454 -0.472 -0.382 1.00 2.29 C ATOM 519 CE1 TYR A 36 11.918 -1.888 -2.308 1.00 1.73 C ATOM 520 CE2 TYR A 36 10.005 -0.515 -1.711 1.00 2.90 C ATOM 521 CZ TYR A 36 10.703 -1.277 -2.658 1.00 2.06 C ATOM 522 OH TYR A 36 10.364 -1.167 -3.971 1.00 2.75 O ATOM 0 H TYR A 36 11.937 -0.813 3.788 1.00 0.75 H new ATOM 0 HA TYR A 36 13.966 -0.603 1.879 1.00 0.82 H new ATOM 0 HB2 TYR A 36 12.385 -2.276 1.621 1.00 0.89 H new ATOM 0 HB3 TYR A 36 11.040 -1.229 2.026 1.00 0.89 H new ATOM 0 HD1 TYR A 36 13.288 -2.347 -0.703 1.00 1.68 H new ATOM 0 HD2 TYR A 36 9.892 0.078 0.358 1.00 2.29 H new ATOM 0 HE1 TYR A 36 12.504 -2.393 -3.062 1.00 1.73 H new ATOM 0 HE2 TYR A 36 9.124 0.037 -2.003 1.00 2.90 H new ATOM 0 HH TYR A 36 9.476 -1.557 -4.113 1.00 2.75 H new ATOM 532 N ALA A 37 11.747 1.822 1.617 1.00 0.77 N ATOM 533 CA ALA A 37 11.580 3.172 1.107 1.00 0.87 C ATOM 534 C ALA A 37 12.713 4.068 1.602 1.00 0.92 C ATOM 535 O ALA A 37 13.429 4.681 0.809 1.00 1.18 O ATOM 536 CB ALA A 37 10.223 3.710 1.565 1.00 0.86 C ATOM 0 H ALA A 37 10.939 1.466 2.128 1.00 0.77 H new ATOM 0 HA ALA A 37 11.614 3.162 0.018 1.00 0.87 H new ATOM 0 HB1 ALA A 37 10.087 4.723 1.188 1.00 0.86 H new ATOM 0 HB2 ALA A 37 9.429 3.070 1.180 1.00 0.86 H new ATOM 0 HB3 ALA A 37 10.185 3.720 2.654 1.00 0.86 H new ATOM 542 N ASN A 38 12.849 4.128 2.926 1.00 0.71 N ATOM 543 CA ASN A 38 13.832 4.929 3.635 1.00 0.72 C ATOM 544 C ASN A 38 15.198 4.778 2.994 1.00 0.77 C ATOM 545 O ASN A 38 15.849 5.766 2.667 1.00 0.85 O ATOM 546 CB ASN A 38 13.922 4.513 5.110 1.00 0.73 C ATOM 547 CG ASN A 38 13.078 5.381 6.025 1.00 0.84 C ATOM 548 OD1 ASN A 38 11.991 5.830 5.672 1.00 1.54 O ATOM 549 ND2 ASN A 38 13.541 5.610 7.241 1.00 1.86 N ATOM 0 H ASN A 38 12.249 3.595 3.556 1.00 0.71 H new ATOM 0 HA ASN A 38 13.513 5.970 3.578 1.00 0.72 H new ATOM 0 HB2 ASN A 38 13.604 3.475 5.209 1.00 0.73 H new ATOM 0 HB3 ASN A 38 14.962 4.560 5.432 1.00 0.73 H new ATOM 0 HD21 ASN A 38 12.994 6.165 7.899 1.00 1.86 H new ATOM 0 HD22 ASN A 38 14.445 5.231 7.522 1.00 1.86 H new ATOM 556 N SER A 39 15.648 3.538 2.829 1.00 0.79 N ATOM 557 CA SER A 39 17.033 3.281 2.477 1.00 0.96 C ATOM 558 C SER A 39 17.285 3.338 0.971 1.00 1.29 C ATOM 559 O SER A 39 18.332 2.872 0.516 1.00 2.10 O ATOM 560 CB SER A 39 17.478 1.961 3.102 1.00 1.34 C ATOM 561 OG SER A 39 16.633 0.873 2.763 1.00 1.63 O ATOM 0 H SER A 39 15.074 2.701 2.934 1.00 0.79 H new ATOM 0 HA SER A 39 17.646 4.083 2.889 1.00 0.96 H new ATOM 0 HB2 SER A 39 18.495 1.738 2.780 1.00 1.34 H new ATOM 0 HB3 SER A 39 17.504 2.069 4.186 1.00 1.34 H new ATOM 0 HG SER A 39 15.797 0.937 3.271 1.00 1.63 H new ATOM 567 N ARG A 40 16.333 3.852 0.196 1.00 1.15 N ATOM 568 CA ARG A 40 16.440 4.086 -1.222 1.00 1.41 C ATOM 569 C ARG A 40 16.183 5.578 -1.496 1.00 1.49 C ATOM 570 O ARG A 40 15.971 5.972 -2.644 1.00 1.91 O ATOM 571 CB ARG A 40 15.389 3.161 -1.864 1.00 1.56 C ATOM 572 CG ARG A 40 15.894 2.614 -3.191 1.00 1.80 C ATOM 573 CD ARG A 40 15.010 1.486 -3.756 1.00 1.82 C ATOM 574 NE ARG A 40 13.657 1.949 -4.098 1.00 2.70 N ATOM 575 CZ ARG A 40 12.673 1.190 -4.603 1.00 4.30 C ATOM 576 NH1 ARG A 40 12.819 -0.124 -4.754 1.00 4.59 N ATOM 577 NH2 ARG A 40 11.539 1.763 -4.995 1.00 6.00 N ATOM 0 H ARG A 40 15.424 4.127 0.569 1.00 1.15 H new ATOM 0 HA ARG A 40 17.424 3.866 -1.636 1.00 1.41 H new ATOM 0 HB2 ARG A 40 15.161 2.337 -1.188 1.00 1.56 H new ATOM 0 HB3 ARG A 40 14.461 3.710 -2.021 1.00 1.56 H new ATOM 0 HG2 ARG A 40 15.944 3.426 -3.916 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.910 2.240 -3.060 1.00 1.80 H new ATOM 0 HD2 ARG A 40 15.483 1.069 -4.645 1.00 1.82 H new ATOM 0 HD3 ARG A 40 14.941 0.681 -3.024 1.00 1.82 H new ATOM 0 HE ARG A 40 13.448 2.934 -3.937 1.00 2.70 H new ATOM 0 HH11 ARG A 40 13.693 -0.574 -4.483 1.00 4.59 H new ATOM 0 HH12 ARG A 40 12.057 -0.681 -5.140 1.00 4.59 H new ATOM 0 HH21 ARG A 40 11.422 2.773 -4.911 1.00 6.00 H new ATOM 0 HH22 ARG A 40 10.786 1.193 -5.380 1.00 6.00 H new ATOM 591 N ALA A 41 16.132 6.409 -0.449 1.00 1.43 N ATOM 592 CA ALA A 41 15.550 7.739 -0.475 1.00 1.31 C ATOM 593 C ALA A 41 16.453 8.732 -1.192 1.00 1.27 C ATOM 594 O ALA A 41 17.158 9.543 -0.598 1.00 2.36 O ATOM 595 CB ALA A 41 15.190 8.195 0.937 1.00 1.35 C ATOM 0 H ALA A 41 16.509 6.158 0.465 1.00 1.43 H new ATOM 0 HA ALA A 41 14.625 7.696 -1.050 1.00 1.31 H new ATOM 0 HB1 ALA A 41 14.755 9.194 0.897 1.00 1.35 H new ATOM 0 HB2 ALA A 41 14.469 7.502 1.370 1.00 1.35 H new ATOM 0 HB3 ALA A 41 16.089 8.215 1.553 1.00 1.35 H new ATOM 601 N GLY A 42 16.365 8.685 -2.510 1.00 1.59 N ATOM 602 CA GLY A 42 17.050 9.527 -3.467 1.00 1.91 C ATOM 603 C GLY A 42 16.720 8.968 -4.846 1.00 1.86 C ATOM 604 O GLY A 42 16.276 9.685 -5.736 1.00 2.53 O ATOM 0 H GLY A 42 15.764 8.002 -2.972 1.00 1.59 H new ATOM 0 HA2 GLY A 42 16.721 10.562 -3.379 1.00 1.91 H new ATOM 0 HA3 GLY A 42 18.126 9.518 -3.292 1.00 1.91 H new ATOM 608 N ASP A 43 16.852 7.646 -4.957 1.00 1.44 N ATOM 609 CA ASP A 43 16.714 6.829 -6.156 1.00 1.82 C ATOM 610 C ASP A 43 15.396 6.071 -6.172 1.00 2.22 C ATOM 611 O ASP A 43 15.150 5.227 -7.027 1.00 3.51 O ATOM 612 CB ASP A 43 17.891 5.840 -6.262 1.00 1.93 C ATOM 613 CG ASP A 43 19.152 6.309 -5.575 1.00 2.84 C ATOM 614 OD1 ASP A 43 19.197 6.305 -4.326 1.00 3.72 O ATOM 615 OD2 ASP A 43 20.053 6.758 -6.312 1.00 3.91 O ATOM 0 H ASP A 43 17.077 7.075 -4.142 1.00 1.44 H new ATOM 0 HA ASP A 43 16.724 7.499 -7.015 1.00 1.82 H new ATOM 0 HB2 ASP A 43 17.589 4.885 -5.832 1.00 1.93 H new ATOM 0 HB3 ASP A 43 18.108 5.661 -7.315 1.00 1.93 H new ATOM 620 N CYS A 44 14.529 6.337 -5.203 1.00 1.49 N ATOM 621 CA CYS A 44 13.470 5.405 -4.864 1.00 2.05 C ATOM 622 C CYS A 44 12.352 5.384 -5.898 1.00 1.63 C ATOM 623 O CYS A 44 11.731 4.333 -6.098 1.00 2.70 O ATOM 624 CB CYS A 44 12.958 5.711 -3.460 1.00 3.11 C ATOM 625 SG CYS A 44 11.393 6.563 -3.390 1.00 2.48 S ATOM 0 H CYS A 44 14.541 7.189 -4.642 1.00 1.49 H new ATOM 0 HA CYS A 44 13.883 4.396 -4.873 1.00 2.05 H new ATOM 0 HB2 CYS A 44 12.868 4.773 -2.911 1.00 3.11 H new ATOM 0 HB3 CYS A 44 13.704 6.313 -2.942 1.00 3.11 H new ATOM 630 N ASN A 45 12.168 6.517 -6.580 1.00 1.70 N ATOM 631 CA ASN A 45 11.352 6.697 -7.773 1.00 2.47 C ATOM 632 C ASN A 45 10.091 5.827 -7.770 1.00 2.48 C ATOM 633 O ASN A 45 9.187 6.077 -6.977 1.00 3.76 O ATOM 634 CB ASN A 45 12.224 6.478 -9.016 1.00 3.12 C ATOM 635 CG ASN A 45 11.554 7.013 -10.279 1.00 4.44 C ATOM 636 OD1 ASN A 45 10.441 7.532 -10.250 1.00 5.47 O ATOM 637 ND2 ASN A 45 12.202 6.862 -11.427 1.00 5.02 N ATOM 0 H ASN A 45 12.616 7.387 -6.291 1.00 1.70 H new ATOM 0 HA ASN A 45 10.977 7.720 -7.786 1.00 2.47 H new ATOM 0 HB2 ASN A 45 13.186 6.972 -8.877 1.00 3.12 H new ATOM 0 HB3 ASN A 45 12.427 5.414 -9.135 1.00 3.12 H new ATOM 0 HD21 ASN A 45 11.776 7.178 -12.298 1.00 5.02 H new ATOM 0 HD22 ASN A 45 13.126 6.430 -11.438 1.00 5.02 H new ATOM 644 N LEU A 46 10.030 4.805 -8.630 1.00 1.61 N ATOM 645 CA LEU A 46 9.040 3.743 -8.607 1.00 1.41 C ATOM 646 C LEU A 46 9.767 2.449 -8.977 1.00 1.40 C ATOM 647 O LEU A 46 9.310 1.705 -9.844 1.00 1.64 O ATOM 648 CB LEU A 46 7.908 4.041 -9.608 1.00 1.52 C ATOM 649 CG LEU A 46 6.938 5.166 -9.225 1.00 1.56 C ATOM 650 CD1 LEU A 46 5.984 5.376 -10.404 1.00 1.97 C ATOM 651 CD2 LEU A 46 6.113 4.795 -7.987 1.00 1.59 C ATOM 0 H LEU A 46 10.701 4.698 -9.390 1.00 1.61 H new ATOM 0 HA LEU A 46 8.582 3.657 -7.622 1.00 1.41 H new ATOM 0 HB2 LEU A 46 8.358 4.290 -10.569 1.00 1.52 H new ATOM 0 HB3 LEU A 46 7.331 3.128 -9.754 1.00 1.52 H new ATOM 0 HG LEU A 46 7.507 6.067 -8.997 1.00 1.56 H new ATOM 0 HD11 LEU A 46 5.279 6.172 -10.164 1.00 1.97 H new ATOM 0 HD12 LEU A 46 6.556 5.653 -11.290 1.00 1.97 H new ATOM 0 HD13 LEU A 46 5.437 4.453 -10.599 1.00 1.97 H new ATOM 0 HD21 LEU A 46 5.436 5.613 -7.742 1.00 1.59 H new ATOM 0 HD22 LEU A 46 5.534 3.894 -8.192 1.00 1.59 H new ATOM 0 HD23 LEU A 46 6.781 4.613 -7.145 1.00 1.59 H new ATOM 663 N ILE A 47 10.896 2.157 -8.333 1.00 1.44 N ATOM 664 CA ILE A 47 11.656 0.960 -8.689 1.00 1.60 C ATOM 665 C ILE A 47 10.983 -0.181 -7.939 1.00 1.64 C ATOM 666 O ILE A 47 10.640 -0.002 -6.774 1.00 2.60 O ATOM 667 CB ILE A 47 13.140 1.078 -8.296 1.00 1.86 C ATOM 668 CG1 ILE A 47 13.743 2.409 -8.765 1.00 2.26 C ATOM 669 CG2 ILE A 47 13.915 -0.117 -8.867 1.00 2.08 C ATOM 670 CD1 ILE A 47 15.261 2.490 -8.581 1.00 3.05 C ATOM 0 H ILE A 47 11.297 2.717 -7.581 1.00 1.44 H new ATOM 0 HA ILE A 47 11.654 0.801 -9.767 1.00 1.60 H new ATOM 0 HB ILE A 47 13.217 1.064 -7.209 1.00 1.86 H new ATOM 0 HG12 ILE A 47 13.504 2.556 -9.818 1.00 2.26 H new ATOM 0 HG13 ILE A 47 13.274 3.225 -8.215 1.00 2.26 H new ATOM 0 HG21 ILE A 47 14.966 -0.035 -8.590 1.00 2.08 H new ATOM 0 HG22 ILE A 47 13.505 -1.043 -8.464 1.00 2.08 H new ATOM 0 HG23 ILE A 47 13.826 -0.123 -9.953 1.00 2.08 H new ATOM 0 HD11 ILE A 47 15.619 3.457 -8.933 1.00 3.05 H new ATOM 0 HD12 ILE A 47 15.506 2.375 -7.525 1.00 3.05 H new ATOM 0 HD13 ILE A 47 15.740 1.695 -9.153 1.00 3.05 H new ATOM 682 N HIS A 48 10.708 -1.295 -8.611 1.00 1.57 N ATOM 683 CA HIS A 48 9.954 -2.387 -8.026 1.00 1.84 C ATOM 684 C HIS A 48 10.906 -3.257 -7.207 1.00 1.83 C ATOM 685 O HIS A 48 11.246 -2.869 -6.094 1.00 3.17 O ATOM 686 CB HIS A 48 9.159 -3.106 -9.121 1.00 3.04 C ATOM 687 CG HIS A 48 8.144 -2.201 -9.784 1.00 4.40 C ATOM 688 ND1 HIS A 48 6.833 -2.062 -9.374 1.00 5.26 N ATOM 689 CD2 HIS A 48 8.346 -1.384 -10.866 1.00 5.89 C ATOM 690 CE1 HIS A 48 6.229 -1.228 -10.237 1.00 6.97 C ATOM 691 NE2 HIS A 48 7.127 -0.796 -11.148 1.00 7.31 N ATOM 0 H HIS A 48 11.003 -1.461 -9.573 1.00 1.57 H new ATOM 0 HA HIS A 48 9.198 -2.041 -7.321 1.00 1.84 H new ATOM 0 HB2 HIS A 48 9.847 -3.489 -9.874 1.00 3.04 H new ATOM 0 HB3 HIS A 48 8.648 -3.967 -8.690 1.00 3.04 H new ATOM 0 HD2 HIS A 48 9.275 -1.230 -11.394 1.00 5.89 H new ATOM 0 HE1 HIS A 48 5.187 -0.947 -10.207 1.00 6.97 H new ATOM 0 HE2 HIS A 48 6.939 -0.148 -11.912 1.00 7.31 H new ATOM 700 N SER A 49 11.399 -4.368 -7.769 1.00 2.18 N ATOM 701 CA SER A 49 12.316 -5.286 -7.091 1.00 2.87 C ATOM 702 C SER A 49 11.766 -5.707 -5.716 1.00 3.20 C ATOM 703 O SER A 49 12.105 -5.102 -4.702 1.00 4.88 O ATOM 704 CB SER A 49 13.742 -4.700 -7.042 1.00 4.62 C ATOM 705 OG SER A 49 13.758 -3.291 -6.906 1.00 5.39 O ATOM 0 H SER A 49 11.168 -4.656 -8.720 1.00 2.18 H new ATOM 0 HA SER A 49 12.390 -6.206 -7.670 1.00 2.87 H new ATOM 0 HB2 SER A 49 14.283 -5.146 -6.208 1.00 4.62 H new ATOM 0 HB3 SER A 49 14.274 -4.977 -7.952 1.00 4.62 H new ATOM 0 HG SER A 49 13.123 -3.022 -6.209 1.00 5.39 H new ATOM 711 N GLY A 50 10.901 -6.723 -5.691 1.00 2.64 N ATOM 712 CA GLY A 50 10.220 -7.178 -4.484 1.00 3.82 C ATOM 713 C GLY A 50 9.133 -8.194 -4.843 1.00 3.18 C ATOM 714 O GLY A 50 8.985 -9.217 -4.187 1.00 4.33 O ATOM 0 H GLY A 50 10.652 -7.259 -6.523 1.00 2.64 H new ATOM 0 HA2 GLY A 50 10.939 -7.630 -3.800 1.00 3.82 H new ATOM 0 HA3 GLY A 50 9.777 -6.328 -3.965 1.00 3.82 H new ATOM 718 N ALA A 51 8.384 -7.918 -5.914 1.00 2.25 N ATOM 719 CA ALA A 51 7.439 -8.839 -6.549 1.00 1.66 C ATOM 720 C ALA A 51 6.223 -9.214 -5.699 1.00 1.04 C ATOM 721 O ALA A 51 5.533 -10.172 -6.030 1.00 2.17 O ATOM 722 CB ALA A 51 8.144 -10.102 -7.058 1.00 2.23 C ATOM 0 H ALA A 51 8.421 -7.012 -6.380 1.00 2.25 H new ATOM 0 HA ALA A 51 7.041 -8.275 -7.392 1.00 1.66 H new ATOM 0 HB1 ALA A 51 7.414 -10.764 -7.524 1.00 2.23 H new ATOM 0 HB2 ALA A 51 8.902 -9.825 -7.791 1.00 2.23 H new ATOM 0 HB3 ALA A 51 8.618 -10.616 -6.222 1.00 2.23 H new ATOM 728 N GLY A 52 5.914 -8.434 -4.670 1.00 1.28 N ATOM 729 CA GLY A 52 4.696 -8.562 -3.880 1.00 0.65 C ATOM 730 C GLY A 52 4.406 -7.190 -3.309 1.00 0.72 C ATOM 731 O GLY A 52 4.400 -6.999 -2.099 1.00 1.58 O ATOM 0 H GLY A 52 6.519 -7.676 -4.354 1.00 1.28 H new ATOM 0 HA2 GLY A 52 3.867 -8.908 -4.498 1.00 0.65 H new ATOM 0 HA3 GLY A 52 4.826 -9.294 -3.083 1.00 0.65 H new ATOM 735 N GLU A 53 4.315 -6.209 -4.205 1.00 0.71 N ATOM 736 CA GLU A 53 4.485 -4.809 -3.879 1.00 0.59 C ATOM 737 C GLU A 53 3.797 -3.881 -4.874 1.00 0.60 C ATOM 738 O GLU A 53 4.043 -4.007 -6.076 1.00 0.87 O ATOM 739 CB GLU A 53 5.988 -4.539 -3.816 1.00 0.71 C ATOM 740 CG GLU A 53 6.428 -3.487 -2.806 1.00 1.28 C ATOM 741 CD GLU A 53 7.916 -3.299 -2.995 1.00 2.08 C ATOM 742 OE1 GLU A 53 8.269 -2.843 -4.110 1.00 3.19 O ATOM 743 OE2 GLU A 53 8.664 -3.699 -2.078 1.00 2.64 O ATOM 0 H GLU A 53 4.118 -6.376 -5.192 1.00 0.71 H new ATOM 0 HA GLU A 53 4.010 -4.601 -2.920 1.00 0.59 H new ATOM 0 HB2 GLU A 53 6.497 -5.474 -3.584 1.00 0.71 H new ATOM 0 HB3 GLU A 53 6.325 -4.230 -4.805 1.00 0.71 H new ATOM 0 HG2 GLU A 53 5.896 -2.549 -2.967 1.00 1.28 H new ATOM 0 HG3 GLU A 53 6.205 -3.810 -1.789 1.00 1.28 H new ATOM 750 N ASN A 54 3.016 -2.920 -4.383 1.00 0.67 N ATOM 751 CA ASN A 54 2.567 -1.733 -5.109 1.00 0.68 C ATOM 752 C ASN A 54 3.280 -0.529 -4.512 1.00 0.55 C ATOM 753 O ASN A 54 3.748 -0.586 -3.378 1.00 0.75 O ATOM 754 CB ASN A 54 1.053 -1.522 -4.969 1.00 0.96 C ATOM 755 CG ASN A 54 0.254 -2.297 -6.003 1.00 1.21 C ATOM 756 OD1 ASN A 54 0.718 -2.488 -7.127 1.00 2.71 O ATOM 757 ND2 ASN A 54 -0.956 -2.722 -5.661 1.00 1.36 N ATOM 0 H ASN A 54 2.663 -2.949 -3.426 1.00 0.67 H new ATOM 0 HA ASN A 54 2.794 -1.859 -6.168 1.00 0.68 H new ATOM 0 HB2 ASN A 54 0.739 -1.826 -3.971 1.00 0.96 H new ATOM 0 HB3 ASN A 54 0.828 -0.460 -5.064 1.00 0.96 H new ATOM 0 HD21 ASN A 54 -1.531 -3.223 -6.338 1.00 1.36 H new ATOM 0 HD22 ASN A 54 -1.311 -2.547 -4.721 1.00 1.36 H new ATOM 764 N LEU A 55 3.368 0.558 -5.279 1.00 0.69 N ATOM 765 CA LEU A 55 4.104 1.757 -4.908 1.00 0.58 C ATOM 766 C LEU A 55 3.320 2.980 -5.374 1.00 0.57 C ATOM 767 O LEU A 55 2.515 2.869 -6.303 1.00 0.65 O ATOM 768 CB LEU A 55 5.446 1.788 -5.646 1.00 0.62 C ATOM 769 CG LEU A 55 6.330 0.540 -5.499 1.00 0.69 C ATOM 770 CD1 LEU A 55 7.514 0.664 -6.461 1.00 0.85 C ATOM 771 CD2 LEU A 55 6.837 0.377 -4.063 1.00 0.64 C ATOM 0 H LEU A 55 2.919 0.626 -6.192 1.00 0.69 H new ATOM 0 HA LEU A 55 4.253 1.759 -3.828 1.00 0.58 H new ATOM 0 HB2 LEU A 55 5.250 1.946 -6.707 1.00 0.62 H new ATOM 0 HB3 LEU A 55 6.011 2.651 -5.294 1.00 0.62 H new ATOM 0 HG LEU A 55 5.737 -0.342 -5.738 1.00 0.69 H new ATOM 0 HD11 LEU A 55 8.152 -0.215 -6.368 1.00 0.85 H new ATOM 0 HD12 LEU A 55 7.145 0.739 -7.484 1.00 0.85 H new ATOM 0 HD13 LEU A 55 8.089 1.557 -6.217 1.00 0.85 H new ATOM 0 HD21 LEU A 55 7.459 -0.516 -3.996 1.00 0.64 H new ATOM 0 HD22 LEU A 55 7.425 1.251 -3.783 1.00 0.64 H new ATOM 0 HD23 LEU A 55 5.988 0.280 -3.386 1.00 0.64 H new ATOM 783 N ALA A 56 3.619 4.155 -4.825 1.00 0.50 N ATOM 784 CA ALA A 56 3.189 5.433 -5.371 1.00 0.45 C ATOM 785 C ALA A 56 4.206 6.508 -4.988 1.00 0.46 C ATOM 786 O ALA A 56 4.543 6.607 -3.814 1.00 0.71 O ATOM 787 CB ALA A 56 1.805 5.781 -4.824 1.00 0.49 C ATOM 0 H ALA A 56 4.176 4.244 -3.975 1.00 0.50 H new ATOM 0 HA ALA A 56 3.128 5.375 -6.458 1.00 0.45 H new ATOM 0 HB1 ALA A 56 1.482 6.739 -5.233 1.00 0.49 H new ATOM 0 HB2 ALA A 56 1.095 5.006 -5.112 1.00 0.49 H new ATOM 0 HB3 ALA A 56 1.849 5.847 -3.737 1.00 0.49 H new ATOM 793 N LYS A 57 4.685 7.291 -5.960 1.00 0.68 N ATOM 794 CA LYS A 57 5.398 8.545 -5.709 1.00 0.74 C ATOM 795 C LYS A 57 4.355 9.627 -5.425 1.00 0.89 C ATOM 796 O LYS A 57 3.171 9.396 -5.678 1.00 1.29 O ATOM 797 CB LYS A 57 6.269 8.940 -6.922 1.00 0.90 C ATOM 798 CG LYS A 57 5.566 8.749 -8.275 1.00 1.30 C ATOM 799 CD LYS A 57 6.124 9.626 -9.408 1.00 1.86 C ATOM 800 CE LYS A 57 7.660 9.663 -9.497 1.00 2.30 C ATOM 801 NZ LYS A 57 8.124 10.260 -10.768 1.00 3.16 N ATOM 0 H LYS A 57 4.587 7.069 -6.951 1.00 0.68 H new ATOM 0 HA LYS A 57 6.067 8.427 -4.857 1.00 0.74 H new ATOM 0 HB2 LYS A 57 6.565 9.984 -6.821 1.00 0.90 H new ATOM 0 HB3 LYS A 57 7.183 8.346 -6.910 1.00 0.90 H new ATOM 0 HG2 LYS A 57 5.647 7.702 -8.568 1.00 1.30 H new ATOM 0 HG3 LYS A 57 4.505 8.965 -8.153 1.00 1.30 H new ATOM 0 HD2 LYS A 57 5.727 9.265 -10.357 1.00 1.86 H new ATOM 0 HD3 LYS A 57 5.757 10.644 -9.275 1.00 1.86 H new ATOM 0 HE2 LYS A 57 8.059 10.236 -8.660 1.00 2.30 H new ATOM 0 HE3 LYS A 57 8.054 8.651 -9.406 1.00 2.30 H new ATOM 0 HZ1 LYS A 57 9.164 10.267 -10.789 1.00 3.16 H new ATOM 0 HZ2 LYS A 57 7.765 9.699 -11.567 1.00 3.16 H new ATOM 0 HZ3 LYS A 57 7.770 11.235 -10.843 1.00 3.16 H new ATOM 815 N GLY A 58 4.774 10.816 -4.996 1.00 0.94 N ATOM 816 CA GLY A 58 3.836 11.908 -4.786 1.00 1.16 C ATOM 817 C GLY A 58 4.551 13.248 -4.683 1.00 1.06 C ATOM 818 O GLY A 58 5.242 13.648 -5.618 1.00 1.88 O ATOM 0 H GLY A 58 5.747 11.043 -4.790 1.00 0.94 H new ATOM 0 HA2 GLY A 58 3.122 11.938 -5.609 1.00 1.16 H new ATOM 0 HA3 GLY A 58 3.265 11.728 -3.875 1.00 1.16 H new ATOM 822 N GLY A 59 4.422 13.925 -3.539 1.00 1.64 N ATOM 823 CA GLY A 59 5.050 15.215 -3.260 1.00 1.73 C ATOM 824 C GLY A 59 4.049 16.274 -2.811 1.00 1.34 C ATOM 825 O GLY A 59 4.448 17.330 -2.316 1.00 2.61 O ATOM 0 H GLY A 59 3.861 13.579 -2.760 1.00 1.64 H new ATOM 0 HA2 GLY A 59 5.807 15.086 -2.486 1.00 1.73 H new ATOM 0 HA3 GLY A 59 5.565 15.564 -4.155 1.00 1.73 H new ATOM 829 N GLY A 60 2.753 16.032 -2.980 1.00 1.23 N ATOM 830 CA GLY A 60 1.724 16.931 -2.490 1.00 1.59 C ATOM 831 C GLY A 60 1.367 16.613 -1.045 1.00 1.29 C ATOM 832 O GLY A 60 2.125 15.953 -0.331 1.00 1.80 O ATOM 0 H GLY A 60 2.391 15.208 -3.460 1.00 1.23 H new ATOM 0 HA2 GLY A 60 2.071 17.962 -2.565 1.00 1.59 H new ATOM 0 HA3 GLY A 60 0.835 16.848 -3.115 1.00 1.59 H new ATOM 836 N ASP A 61 0.166 17.020 -0.634 1.00 1.80 N ATOM 837 CA ASP A 61 -0.542 16.574 0.564 1.00 1.96 C ATOM 838 C ASP A 61 -0.992 15.117 0.372 1.00 1.55 C ATOM 839 O ASP A 61 -2.162 14.778 0.521 1.00 1.68 O ATOM 840 CB ASP A 61 -1.744 17.504 0.806 1.00 2.57 C ATOM 841 CG ASP A 61 -2.668 17.558 -0.390 1.00 2.73 C ATOM 842 OD1 ASP A 61 -2.181 18.047 -1.433 1.00 3.15 O ATOM 843 OD2 ASP A 61 -3.828 17.123 -0.286 1.00 3.24 O ATOM 0 H ASP A 61 -0.369 17.711 -1.160 1.00 1.80 H new ATOM 0 HA ASP A 61 0.111 16.617 1.436 1.00 1.96 H new ATOM 0 HB2 ASP A 61 -2.300 17.159 1.678 1.00 2.57 H new ATOM 0 HB3 ASP A 61 -1.386 18.508 1.033 1.00 2.57 H new ATOM 848 N PHE A 62 -0.051 14.245 0.021 1.00 1.30 N ATOM 849 CA PHE A 62 -0.351 12.976 -0.613 1.00 1.00 C ATOM 850 C PHE A 62 -0.826 11.955 0.411 1.00 0.96 C ATOM 851 O PHE A 62 -0.051 11.587 1.300 1.00 1.44 O ATOM 852 CB PHE A 62 0.903 12.487 -1.344 1.00 1.16 C ATOM 853 CG PHE A 62 0.667 11.365 -2.333 1.00 1.05 C ATOM 854 CD1 PHE A 62 -0.383 11.446 -3.267 1.00 2.01 C ATOM 855 CD2 PHE A 62 1.529 10.254 -2.354 1.00 2.57 C ATOM 856 CE1 PHE A 62 -0.611 10.388 -4.159 1.00 1.98 C ATOM 857 CE2 PHE A 62 1.307 9.203 -3.259 1.00 2.70 C ATOM 858 CZ PHE A 62 0.222 9.261 -4.151 1.00 1.27 C ATOM 0 H PHE A 62 0.945 14.405 0.172 1.00 1.30 H new ATOM 0 HA PHE A 62 -1.161 13.106 -1.331 1.00 1.00 H new ATOM 0 HB2 PHE A 62 1.350 13.329 -1.872 1.00 1.16 H new ATOM 0 HB3 PHE A 62 1.630 12.153 -0.604 1.00 1.16 H new ATOM 0 HD1 PHE A 62 -1.013 12.323 -3.297 1.00 2.01 H new ATOM 0 HD2 PHE A 62 2.365 10.209 -1.672 1.00 2.57 H new ATOM 0 HE1 PHE A 62 -1.434 10.442 -4.857 1.00 1.98 H new ATOM 0 HE2 PHE A 62 1.970 8.350 -3.270 1.00 2.70 H new ATOM 0 HZ PHE A 62 0.031 8.441 -4.827 1.00 1.27 H new ATOM 868 N THR A 63 -2.076 11.514 0.304 1.00 0.98 N ATOM 869 CA THR A 63 -2.673 10.600 1.256 1.00 0.97 C ATOM 870 C THR A 63 -2.431 9.166 0.780 1.00 1.02 C ATOM 871 O THR A 63 -2.500 8.866 -0.415 1.00 1.75 O ATOM 872 CB THR A 63 -4.161 10.949 1.457 1.00 1.02 C ATOM 873 OG1 THR A 63 -4.957 10.423 0.421 1.00 1.12 O ATOM 874 CG2 THR A 63 -4.352 12.468 1.504 1.00 1.44 C ATOM 0 H THR A 63 -2.703 11.786 -0.453 1.00 0.98 H new ATOM 0 HA THR A 63 -2.210 10.693 2.238 1.00 0.97 H new ATOM 0 HB THR A 63 -4.473 10.505 2.403 1.00 1.02 H new ATOM 0 HG1 THR A 63 -5.895 10.659 0.577 1.00 1.12 H new ATOM 0 HG21 THR A 63 -5.408 12.698 1.646 1.00 1.44 H new ATOM 0 HG22 THR A 63 -3.776 12.882 2.332 1.00 1.44 H new ATOM 0 HG23 THR A 63 -4.008 12.907 0.567 1.00 1.44 H new ATOM 882 N GLY A 64 -2.150 8.260 1.712 1.00 0.65 N ATOM 883 CA GLY A 64 -2.033 6.850 1.396 1.00 0.60 C ATOM 884 C GLY A 64 -3.324 6.346 0.748 1.00 0.52 C ATOM 885 O GLY A 64 -3.288 5.549 -0.191 1.00 0.49 O ATOM 0 H GLY A 64 -1.999 8.484 2.696 1.00 0.65 H new ATOM 0 HA2 GLY A 64 -1.192 6.689 0.722 1.00 0.60 H new ATOM 0 HA3 GLY A 64 -1.827 6.282 2.303 1.00 0.60 H new ATOM 889 N ARG A 65 -4.462 6.833 1.242 1.00 0.54 N ATOM 890 CA ARG A 65 -5.789 6.516 0.740 1.00 0.53 C ATOM 891 C ARG A 65 -5.886 6.838 -0.756 1.00 0.56 C ATOM 892 O ARG A 65 -6.283 5.988 -1.558 1.00 0.56 O ATOM 893 CB ARG A 65 -6.820 7.279 1.591 1.00 0.57 C ATOM 894 CG ARG A 65 -8.245 6.713 1.451 1.00 0.84 C ATOM 895 CD ARG A 65 -8.662 6.118 2.802 1.00 1.75 C ATOM 896 NE ARG A 65 -9.905 5.338 2.800 1.00 2.43 N ATOM 897 CZ ARG A 65 -11.107 5.866 3.065 1.00 2.61 C ATOM 898 NH1 ARG A 65 -11.384 7.106 2.662 1.00 2.75 N ATOM 899 NH2 ARG A 65 -11.988 5.147 3.760 1.00 3.71 N ATOM 0 H ARG A 65 -4.481 7.481 2.030 1.00 0.54 H new ATOM 0 HA ARG A 65 -5.996 5.450 0.829 1.00 0.53 H new ATOM 0 HB2 ARG A 65 -6.520 7.240 2.638 1.00 0.57 H new ATOM 0 HB3 ARG A 65 -6.821 8.329 1.298 1.00 0.57 H new ATOM 0 HG2 ARG A 65 -8.938 7.499 1.152 1.00 0.84 H new ATOM 0 HG3 ARG A 65 -8.275 5.949 0.674 1.00 0.84 H new ATOM 0 HD2 ARG A 65 -7.855 5.479 3.161 1.00 1.75 H new ATOM 0 HD3 ARG A 65 -8.767 6.932 3.519 1.00 1.75 H new ATOM 0 HE ARG A 65 -9.851 4.342 2.586 1.00 2.43 H new ATOM 0 HH11 ARG A 65 -10.683 7.646 2.155 1.00 2.75 H new ATOM 0 HH12 ARG A 65 -12.297 7.515 2.860 1.00 2.75 H new ATOM 0 HH21 ARG A 65 -11.742 4.211 4.081 1.00 3.71 H new ATOM 0 HH22 ARG A 65 -12.908 5.533 3.971 1.00 3.71 H new ATOM 913 N ALA A 66 -5.519 8.058 -1.147 1.00 0.64 N ATOM 914 CA ALA A 66 -5.563 8.489 -2.541 1.00 0.76 C ATOM 915 C ALA A 66 -4.657 7.606 -3.395 1.00 0.76 C ATOM 916 O ALA A 66 -5.024 7.237 -4.508 1.00 0.78 O ATOM 917 CB ALA A 66 -5.142 9.956 -2.657 1.00 0.89 C ATOM 0 H ALA A 66 -5.183 8.775 -0.504 1.00 0.64 H new ATOM 0 HA ALA A 66 -6.586 8.393 -2.905 1.00 0.76 H new ATOM 0 HB1 ALA A 66 -5.180 10.264 -3.702 1.00 0.89 H new ATOM 0 HB2 ALA A 66 -5.820 10.577 -2.071 1.00 0.89 H new ATOM 0 HB3 ALA A 66 -4.126 10.074 -2.280 1.00 0.89 H new ATOM 923 N ALA A 67 -3.473 7.250 -2.893 1.00 0.78 N ATOM 924 CA ALA A 67 -2.583 6.362 -3.628 1.00 0.82 C ATOM 925 C ALA A 67 -3.285 5.037 -3.954 1.00 0.69 C ATOM 926 O ALA A 67 -3.272 4.621 -5.107 1.00 0.67 O ATOM 927 CB ALA A 67 -1.277 6.149 -2.866 1.00 0.93 C ATOM 0 H ALA A 67 -3.115 7.561 -1.990 1.00 0.78 H new ATOM 0 HA ALA A 67 -2.327 6.834 -4.577 1.00 0.82 H new ATOM 0 HB1 ALA A 67 -0.629 5.482 -3.435 1.00 0.93 H new ATOM 0 HB2 ALA A 67 -0.778 7.108 -2.725 1.00 0.93 H new ATOM 0 HB3 ALA A 67 -1.491 5.705 -1.894 1.00 0.93 H new ATOM 933 N VAL A 68 -3.936 4.376 -2.990 1.00 0.62 N ATOM 934 CA VAL A 68 -4.694 3.169 -3.342 1.00 0.57 C ATOM 935 C VAL A 68 -5.728 3.494 -4.412 1.00 0.55 C ATOM 936 O VAL A 68 -5.853 2.792 -5.411 1.00 0.56 O ATOM 937 CB VAL A 68 -5.413 2.514 -2.153 1.00 0.61 C ATOM 938 CG1 VAL A 68 -5.959 1.145 -2.594 1.00 0.63 C ATOM 939 CG2 VAL A 68 -4.437 2.269 -1.020 1.00 0.62 C ATOM 0 H VAL A 68 -3.956 4.639 -2.005 1.00 0.62 H new ATOM 0 HA VAL A 68 -3.955 2.455 -3.707 1.00 0.57 H new ATOM 0 HB VAL A 68 -6.214 3.175 -1.822 1.00 0.61 H new ATOM 0 HG11 VAL A 68 -6.472 0.671 -1.757 1.00 0.63 H new ATOM 0 HG12 VAL A 68 -6.659 1.281 -3.418 1.00 0.63 H new ATOM 0 HG13 VAL A 68 -5.134 0.512 -2.920 1.00 0.63 H new ATOM 0 HG21 VAL A 68 -4.959 1.805 -0.184 1.00 0.62 H new ATOM 0 HG22 VAL A 68 -3.641 1.608 -1.362 1.00 0.62 H new ATOM 0 HG23 VAL A 68 -4.008 3.218 -0.698 1.00 0.62 H new ATOM 949 N GLN A 69 -6.498 4.548 -4.178 1.00 0.57 N ATOM 950 CA GLN A 69 -7.552 4.958 -5.084 1.00 0.63 C ATOM 951 C GLN A 69 -7.023 5.202 -6.503 1.00 0.76 C ATOM 952 O GLN A 69 -7.717 4.861 -7.459 1.00 0.78 O ATOM 953 CB GLN A 69 -8.303 6.131 -4.450 1.00 0.76 C ATOM 954 CG GLN A 69 -9.402 5.568 -3.542 1.00 0.92 C ATOM 955 CD GLN A 69 -9.882 6.527 -2.464 1.00 1.46 C ATOM 956 OE1 GLN A 69 -11.080 6.682 -2.238 1.00 2.61 O ATOM 957 NE2 GLN A 69 -8.942 7.111 -1.741 1.00 2.69 N ATOM 0 H GLN A 69 -6.406 5.141 -3.353 1.00 0.57 H new ATOM 0 HA GLN A 69 -8.277 4.157 -5.227 1.00 0.63 H new ATOM 0 HB2 GLN A 69 -7.618 6.754 -3.875 1.00 0.76 H new ATOM 0 HB3 GLN A 69 -8.737 6.765 -5.223 1.00 0.76 H new ATOM 0 HG2 GLN A 69 -10.253 5.279 -4.159 1.00 0.92 H new ATOM 0 HG3 GLN A 69 -9.032 4.661 -3.065 1.00 0.92 H new ATOM 0 HE21 GLN A 69 -7.958 6.956 -1.962 1.00 2.69 H new ATOM 0 HE22 GLN A 69 -9.200 7.717 -0.962 1.00 2.69 H new ATOM 966 N LEU A 70 -5.787 5.683 -6.674 1.00 0.87 N ATOM 967 CA LEU A 70 -5.185 5.800 -7.997 1.00 0.96 C ATOM 968 C LEU A 70 -5.170 4.408 -8.635 1.00 1.02 C ATOM 969 O LEU A 70 -5.564 4.237 -9.785 1.00 1.17 O ATOM 970 CB LEU A 70 -3.779 6.413 -7.869 1.00 0.98 C ATOM 971 CG LEU A 70 -2.894 6.300 -9.119 1.00 1.16 C ATOM 972 CD1 LEU A 70 -3.435 7.202 -10.228 1.00 2.32 C ATOM 973 CD2 LEU A 70 -1.465 6.728 -8.771 1.00 1.56 C ATOM 0 H LEU A 70 -5.188 5.996 -5.910 1.00 0.87 H new ATOM 0 HA LEU A 70 -5.759 6.465 -8.642 1.00 0.96 H new ATOM 0 HB2 LEU A 70 -3.883 7.467 -7.612 1.00 0.98 H new ATOM 0 HB3 LEU A 70 -3.266 5.931 -7.037 1.00 0.98 H new ATOM 0 HG LEU A 70 -2.897 5.266 -9.465 1.00 1.16 H new ATOM 0 HD11 LEU A 70 -2.801 7.115 -11.110 1.00 2.32 H new ATOM 0 HD12 LEU A 70 -4.451 6.899 -10.480 1.00 2.32 H new ATOM 0 HD13 LEU A 70 -3.440 8.237 -9.885 1.00 2.32 H new ATOM 0 HD21 LEU A 70 -0.835 6.648 -9.657 1.00 1.56 H new ATOM 0 HD22 LEU A 70 -1.469 7.760 -8.421 1.00 1.56 H new ATOM 0 HD23 LEU A 70 -1.072 6.080 -7.987 1.00 1.56 H new ATOM 985 N TRP A 71 -4.755 3.399 -7.873 1.00 0.93 N ATOM 986 CA TRP A 71 -4.665 2.034 -8.363 1.00 0.96 C ATOM 987 C TRP A 71 -6.061 1.472 -8.657 1.00 0.89 C ATOM 988 O TRP A 71 -6.244 0.766 -9.646 1.00 1.03 O ATOM 989 CB TRP A 71 -3.880 1.161 -7.371 1.00 0.90 C ATOM 990 CG TRP A 71 -2.620 1.755 -6.797 1.00 0.94 C ATOM 991 CD1 TRP A 71 -1.941 2.819 -7.282 1.00 1.04 C ATOM 992 CD2 TRP A 71 -1.948 1.408 -5.548 1.00 0.89 C ATOM 993 NE1 TRP A 71 -1.007 3.229 -6.359 1.00 0.98 N ATOM 994 CE2 TRP A 71 -0.954 2.390 -5.267 1.00 0.90 C ATOM 995 CE3 TRP A 71 -2.108 0.376 -4.603 1.00 0.92 C ATOM 996 CZ2 TRP A 71 -0.198 2.371 -4.082 1.00 0.87 C ATOM 997 CZ3 TRP A 71 -1.313 0.309 -3.447 1.00 0.95 C ATOM 998 CH2 TRP A 71 -0.359 1.306 -3.188 1.00 0.91 C ATOM 0 H TRP A 71 -4.473 3.509 -6.899 1.00 0.93 H new ATOM 0 HA TRP A 71 -4.116 2.028 -9.304 1.00 0.96 H new ATOM 0 HB2 TRP A 71 -4.543 0.905 -6.544 1.00 0.90 H new ATOM 0 HB3 TRP A 71 -3.619 0.228 -7.871 1.00 0.90 H new ATOM 0 HD1 TRP A 71 -2.107 3.277 -8.246 1.00 1.04 H new ATOM 0 HE1 TRP A 71 -0.422 4.057 -6.470 1.00 0.98 H new ATOM 0 HE3 TRP A 71 -2.859 -0.381 -4.771 1.00 0.92 H new ATOM 0 HZ2 TRP A 71 0.498 3.168 -3.864 1.00 0.87 H new ATOM 0 HZ3 TRP A 71 -1.436 -0.512 -2.756 1.00 0.95 H new ATOM 0 HH2 TRP A 71 0.251 1.251 -2.298 1.00 0.91 H new ATOM 1009 N VAL A 72 -7.062 1.768 -7.823 1.00 0.76 N ATOM 1010 CA VAL A 72 -8.433 1.364 -8.135 1.00 0.75 C ATOM 1011 C VAL A 72 -8.895 2.033 -9.432 1.00 0.77 C ATOM 1012 O VAL A 72 -9.595 1.410 -10.228 1.00 0.82 O ATOM 1013 CB VAL A 72 -9.410 1.568 -6.963 1.00 0.88 C ATOM 1014 CG1 VAL A 72 -10.768 0.917 -7.286 1.00 0.77 C ATOM 1015 CG2 VAL A 72 -8.878 0.913 -5.682 1.00 1.02 C ATOM 0 H VAL A 72 -6.952 2.275 -6.945 1.00 0.76 H new ATOM 0 HA VAL A 72 -8.434 0.286 -8.297 1.00 0.75 H new ATOM 0 HB VAL A 72 -9.519 2.642 -6.814 1.00 0.88 H new ATOM 0 HG11 VAL A 72 -11.451 1.067 -6.450 1.00 0.77 H new ATOM 0 HG12 VAL A 72 -11.186 1.373 -8.183 1.00 0.77 H new ATOM 0 HG13 VAL A 72 -10.629 -0.151 -7.453 1.00 0.77 H new ATOM 0 HG21 VAL A 72 -9.588 1.072 -4.870 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -8.749 -0.157 -5.847 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -7.918 1.357 -5.418 1.00 1.02 H new ATOM 1025 N SER A 73 -8.449 3.263 -9.701 1.00 0.99 N ATOM 1026 CA SER A 73 -8.749 3.942 -10.954 1.00 0.99 C ATOM 1027 C SER A 73 -8.186 3.228 -12.195 1.00 0.61 C ATOM 1028 O SER A 73 -8.455 3.681 -13.306 1.00 0.86 O ATOM 1029 CB SER A 73 -8.337 5.418 -10.897 1.00 1.55 C ATOM 1030 OG SER A 73 -8.800 6.015 -9.693 1.00 2.71 O ATOM 0 H SER A 73 -7.874 3.809 -9.059 1.00 0.99 H new ATOM 0 HA SER A 73 -9.832 3.901 -11.071 1.00 0.99 H new ATOM 0 HB2 SER A 73 -7.252 5.502 -10.958 1.00 1.55 H new ATOM 0 HB3 SER A 73 -8.747 5.950 -11.755 1.00 1.55 H new ATOM 0 HG SER A 73 -8.294 5.657 -8.934 1.00 2.71 H new ATOM 1036 N GLU A 74 -7.489 2.091 -12.060 1.00 0.59 N ATOM 1037 CA GLU A 74 -7.298 1.168 -13.174 1.00 0.73 C ATOM 1038 C GLU A 74 -8.608 0.459 -13.567 1.00 0.83 C ATOM 1039 O GLU A 74 -8.583 -0.417 -14.424 1.00 1.18 O ATOM 1040 CB GLU A 74 -6.235 0.114 -12.827 1.00 0.85 C ATOM 1041 CG GLU A 74 -4.847 0.670 -12.473 1.00 1.60 C ATOM 1042 CD GLU A 74 -4.075 1.179 -13.671 1.00 2.30 C ATOM 1043 OE1 GLU A 74 -4.638 1.299 -14.775 1.00 3.13 O ATOM 1044 OE2 GLU A 74 -2.890 1.518 -13.486 1.00 3.04 O ATOM 0 H GLU A 74 -7.051 1.794 -11.188 1.00 0.59 H new ATOM 0 HA GLU A 74 -6.963 1.763 -14.024 1.00 0.73 H new ATOM 0 HB2 GLU A 74 -6.596 -0.478 -11.986 1.00 0.85 H new ATOM 0 HB3 GLU A 74 -6.131 -0.565 -13.673 1.00 0.85 H new ATOM 0 HG2 GLU A 74 -4.962 1.481 -11.754 1.00 1.60 H new ATOM 0 HG3 GLU A 74 -4.266 -0.111 -11.982 1.00 1.60 H new ATOM 1051 N ARG A 75 -9.754 0.790 -12.970 1.00 0.80 N ATOM 1052 CA ARG A 75 -11.049 0.190 -13.273 1.00 1.12 C ATOM 1053 C ARG A 75 -11.317 -0.125 -14.760 1.00 1.39 C ATOM 1054 O ARG A 75 -11.711 -1.252 -15.040 1.00 1.53 O ATOM 1055 CB ARG A 75 -12.170 0.982 -12.592 1.00 1.27 C ATOM 1056 CG ARG A 75 -13.440 0.136 -12.435 1.00 1.59 C ATOM 1057 CD ARG A 75 -14.493 0.896 -11.621 1.00 1.82 C ATOM 1058 NE ARG A 75 -14.039 1.171 -10.251 1.00 1.82 N ATOM 1059 CZ ARG A 75 -14.485 0.584 -9.132 1.00 2.64 C ATOM 1060 NH1 ARG A 75 -15.185 -0.551 -9.183 1.00 3.58 N ATOM 1061 NH2 ARG A 75 -14.223 1.145 -7.956 1.00 3.86 N ATOM 0 H ARG A 75 -9.806 1.503 -12.242 1.00 0.80 H new ATOM 0 HA ARG A 75 -11.025 -0.811 -12.843 1.00 1.12 H new ATOM 0 HB2 ARG A 75 -11.834 1.321 -11.612 1.00 1.27 H new ATOM 0 HB3 ARG A 75 -12.395 1.873 -13.178 1.00 1.27 H new ATOM 0 HG2 ARG A 75 -13.841 -0.114 -13.417 1.00 1.59 H new ATOM 0 HG3 ARG A 75 -13.199 -0.805 -11.940 1.00 1.59 H new ATOM 0 HD2 ARG A 75 -14.728 1.836 -12.120 1.00 1.82 H new ATOM 0 HD3 ARG A 75 -15.414 0.314 -11.587 1.00 1.82 H new ATOM 0 HE ARG A 75 -13.313 1.879 -10.141 1.00 1.82 H new ATOM 0 HH11 ARG A 75 -15.388 -0.985 -10.083 1.00 3.58 H new ATOM 0 HH12 ARG A 75 -15.517 -0.985 -8.321 1.00 3.58 H new ATOM 0 HH21 ARG A 75 -13.688 2.012 -7.913 1.00 3.86 H new ATOM 0 HH22 ARG A 75 -14.557 0.708 -7.097 1.00 3.86 H new ATOM 1075 N PRO A 76 -11.088 0.772 -15.738 1.00 1.58 N ATOM 1076 CA PRO A 76 -11.315 0.453 -17.151 1.00 1.93 C ATOM 1077 C PRO A 76 -10.342 -0.587 -17.747 1.00 2.02 C ATOM 1078 O PRO A 76 -10.428 -0.896 -18.940 1.00 2.60 O ATOM 1079 CB PRO A 76 -11.255 1.793 -17.892 1.00 2.10 C ATOM 1080 CG PRO A 76 -10.412 2.679 -16.979 1.00 1.82 C ATOM 1081 CD PRO A 76 -10.753 2.179 -15.580 1.00 1.53 C ATOM 0 HA PRO A 76 -12.282 -0.038 -17.261 1.00 1.93 H new ATOM 0 HB2 PRO A 76 -10.799 1.685 -18.876 1.00 2.10 H new ATOM 0 HB3 PRO A 76 -12.250 2.210 -18.045 1.00 2.10 H new ATOM 0 HG2 PRO A 76 -9.348 2.578 -17.193 1.00 1.82 H new ATOM 0 HG3 PRO A 76 -10.662 3.733 -17.100 1.00 1.82 H new ATOM 0 HD2 PRO A 76 -9.910 2.307 -14.902 1.00 1.53 H new ATOM 0 HD3 PRO A 76 -11.589 2.736 -15.158 1.00 1.53 H new ATOM 1089 N SER A 77 -9.405 -1.125 -16.961 1.00 1.63 N ATOM 1090 CA SER A 77 -8.726 -2.381 -17.251 1.00 1.61 C ATOM 1091 C SER A 77 -9.177 -3.495 -16.315 1.00 1.29 C ATOM 1092 O SER A 77 -9.055 -4.659 -16.662 1.00 1.39 O ATOM 1093 CB SER A 77 -7.208 -2.251 -17.145 1.00 1.88 C ATOM 1094 OG SER A 77 -6.766 -1.724 -15.914 1.00 2.19 O ATOM 0 H SER A 77 -9.095 -0.689 -16.092 1.00 1.63 H new ATOM 0 HA SER A 77 -8.995 -2.632 -18.277 1.00 1.61 H new ATOM 0 HB2 SER A 77 -6.758 -3.233 -17.292 1.00 1.88 H new ATOM 0 HB3 SER A 77 -6.850 -1.612 -17.952 1.00 1.88 H new ATOM 0 HG SER A 77 -7.537 -1.563 -15.331 1.00 2.19 H new ATOM 1100 N TYR A 78 -9.653 -3.187 -15.119 1.00 1.16 N ATOM 1101 CA TYR A 78 -9.928 -4.207 -14.121 1.00 1.16 C ATOM 1102 C TYR A 78 -11.309 -4.763 -14.442 1.00 1.12 C ATOM 1103 O TYR A 78 -12.319 -4.063 -14.355 1.00 1.20 O ATOM 1104 CB TYR A 78 -9.756 -3.614 -12.702 1.00 1.39 C ATOM 1105 CG TYR A 78 -10.840 -3.850 -11.659 1.00 0.88 C ATOM 1106 CD1 TYR A 78 -11.434 -5.115 -11.498 1.00 1.51 C ATOM 1107 CD2 TYR A 78 -11.197 -2.811 -10.775 1.00 2.01 C ATOM 1108 CE1 TYR A 78 -12.520 -5.279 -10.623 1.00 1.85 C ATOM 1109 CE2 TYR A 78 -12.228 -3.001 -9.839 1.00 2.06 C ATOM 1110 CZ TYR A 78 -12.926 -4.214 -9.803 1.00 1.45 C ATOM 1111 OH TYR A 78 -13.955 -4.384 -8.925 1.00 2.10 O ATOM 0 H TYR A 78 -9.857 -2.235 -14.816 1.00 1.16 H new ATOM 0 HA TYR A 78 -9.226 -5.040 -14.144 1.00 1.16 H new ATOM 0 HB2 TYR A 78 -8.821 -4.001 -12.296 1.00 1.39 H new ATOM 0 HB3 TYR A 78 -9.634 -2.536 -12.810 1.00 1.39 H new ATOM 0 HD1 TYR A 78 -11.054 -5.962 -12.049 1.00 1.51 H new ATOM 0 HD2 TYR A 78 -10.676 -1.866 -10.817 1.00 2.01 H new ATOM 0 HE1 TYR A 78 -13.042 -6.223 -10.581 1.00 1.85 H new ATOM 0 HE2 TYR A 78 -12.482 -2.211 -9.147 1.00 2.06 H new ATOM 0 HH TYR A 78 -14.107 -3.550 -8.434 1.00 2.10 H new ATOM 1121 N ASN A 79 -11.348 -6.043 -14.828 1.00 1.21 N ATOM 1122 CA ASN A 79 -12.606 -6.716 -15.048 1.00 1.30 C ATOM 1123 C ASN A 79 -12.444 -8.207 -14.855 1.00 1.57 C ATOM 1124 O ASN A 79 -11.397 -8.761 -15.188 1.00 2.34 O ATOM 1125 CB ASN A 79 -13.158 -6.427 -16.443 1.00 1.28 C ATOM 1126 CG ASN A 79 -14.666 -6.513 -16.358 1.00 1.54 C ATOM 1127 OD1 ASN A 79 -15.295 -7.465 -16.803 1.00 1.62 O ATOM 1128 ND2 ASN A 79 -15.259 -5.532 -15.690 1.00 2.73 N ATOM 0 H ASN A 79 -10.522 -6.619 -14.990 1.00 1.21 H new ATOM 0 HA ASN A 79 -13.319 -6.334 -14.317 1.00 1.30 H new ATOM 0 HB2 ASN A 79 -12.848 -5.438 -16.781 1.00 1.28 H new ATOM 0 HB3 ASN A 79 -12.772 -7.146 -17.165 1.00 1.28 H new ATOM 0 HD21 ASN A 79 -16.267 -5.557 -15.535 1.00 2.73 H new ATOM 0 HD22 ASN A 79 -14.707 -4.753 -15.332 1.00 2.73 H new ATOM 1135 N TYR A 80 -13.467 -8.829 -14.277 1.00 1.37 N ATOM 1136 CA TYR A 80 -13.488 -10.247 -13.990 1.00 1.56 C ATOM 1137 C TYR A 80 -13.846 -10.969 -15.295 1.00 1.94 C ATOM 1138 O TYR A 80 -13.296 -10.638 -16.343 1.00 2.81 O ATOM 1139 CB TYR A 80 -14.480 -10.450 -12.829 1.00 1.55 C ATOM 1140 CG TYR A 80 -14.433 -11.742 -12.032 1.00 1.53 C ATOM 1141 CD1 TYR A 80 -13.255 -12.510 -11.950 1.00 2.85 C ATOM 1142 CD2 TYR A 80 -15.508 -12.038 -11.171 1.00 1.46 C ATOM 1143 CE1 TYR A 80 -13.152 -13.546 -11.011 1.00 2.88 C ATOM 1144 CE2 TYR A 80 -15.406 -13.087 -10.239 1.00 1.53 C ATOM 1145 CZ TYR A 80 -14.213 -13.824 -10.142 1.00 1.66 C ATOM 1146 OH TYR A 80 -14.151 -14.919 -9.333 1.00 1.92 O ATOM 0 H TYR A 80 -14.319 -8.346 -13.992 1.00 1.37 H new ATOM 0 HA TYR A 80 -12.535 -10.664 -13.664 1.00 1.56 H new ATOM 0 HB2 TYR A 80 -14.338 -9.627 -12.129 1.00 1.55 H new ATOM 0 HB3 TYR A 80 -15.486 -10.352 -13.236 1.00 1.55 H new ATOM 0 HD1 TYR A 80 -12.428 -12.300 -12.613 1.00 2.85 H new ATOM 0 HD2 TYR A 80 -16.416 -11.456 -11.227 1.00 1.46 H new ATOM 0 HE1 TYR A 80 -12.247 -14.134 -10.958 1.00 2.88 H new ATOM 0 HE2 TYR A 80 -16.243 -13.326 -9.599 1.00 1.53 H new ATOM 0 HH TYR A 80 -13.242 -15.014 -8.980 1.00 1.92 H new ATOM 1156 N ALA A 81 -14.758 -11.940 -15.256 1.00 2.06 N ATOM 1157 CA ALA A 81 -15.446 -12.561 -16.360 1.00 2.19 C ATOM 1158 C ALA A 81 -14.566 -13.650 -16.944 1.00 2.30 C ATOM 1159 O ALA A 81 -14.992 -14.795 -17.083 1.00 2.53 O ATOM 1160 CB ALA A 81 -15.934 -11.519 -17.357 1.00 2.32 C ATOM 0 H ALA A 81 -15.052 -12.340 -14.365 1.00 2.06 H new ATOM 0 HA ALA A 81 -16.358 -13.053 -16.021 1.00 2.19 H new ATOM 0 HB1 ALA A 81 -16.449 -12.015 -18.179 1.00 2.32 H new ATOM 0 HB2 ALA A 81 -16.620 -10.833 -16.860 1.00 2.32 H new ATOM 0 HB3 ALA A 81 -15.082 -10.961 -17.746 1.00 2.32 H new ATOM 1166 N THR A 82 -13.336 -13.279 -17.273 1.00 2.29 N ATOM 1167 CA THR A 82 -12.341 -14.145 -17.876 1.00 2.48 C ATOM 1168 C THR A 82 -11.001 -13.960 -17.164 1.00 2.31 C ATOM 1169 O THR A 82 -9.934 -14.076 -17.767 1.00 2.60 O ATOM 1170 CB THR A 82 -12.322 -13.860 -19.384 1.00 2.82 C ATOM 1171 OG1 THR A 82 -12.029 -12.503 -19.659 1.00 2.91 O ATOM 1172 CG2 THR A 82 -13.723 -14.119 -19.937 1.00 3.19 C ATOM 0 H THR A 82 -12.995 -12.330 -17.120 1.00 2.29 H new ATOM 0 HA THR A 82 -12.578 -15.202 -17.758 1.00 2.48 H new ATOM 0 HB THR A 82 -11.560 -14.497 -19.834 1.00 2.82 H new ATOM 0 HG1 THR A 82 -11.111 -12.428 -19.992 1.00 2.91 H new ATOM 0 HG21 THR A 82 -13.733 -13.922 -21.009 1.00 3.19 H new ATOM 0 HG22 THR A 82 -13.999 -15.158 -19.756 1.00 3.19 H new ATOM 0 HG23 THR A 82 -14.437 -13.462 -19.441 1.00 3.19 H new ATOM 1180 N ASN A 83 -11.074 -13.700 -15.858 1.00 2.15 N ATOM 1181 CA ASN A 83 -9.976 -13.715 -14.907 1.00 2.12 C ATOM 1182 C ASN A 83 -8.740 -12.949 -15.371 1.00 1.98 C ATOM 1183 O ASN A 83 -7.631 -13.491 -15.409 1.00 2.27 O ATOM 1184 CB ASN A 83 -9.633 -15.163 -14.558 1.00 2.41 C ATOM 1185 CG ASN A 83 -8.984 -15.226 -13.189 1.00 2.27 C ATOM 1186 OD1 ASN A 83 -7.776 -15.402 -13.054 1.00 2.91 O ATOM 1187 ND2 ASN A 83 -9.804 -15.126 -12.155 1.00 1.83 N ATOM 0 H ASN A 83 -11.960 -13.459 -15.414 1.00 2.15 H new ATOM 0 HA ASN A 83 -10.315 -13.185 -14.017 1.00 2.12 H new ATOM 0 HB2 ASN A 83 -10.537 -15.773 -14.570 1.00 2.41 H new ATOM 0 HB3 ASN A 83 -8.959 -15.577 -15.308 1.00 2.41 H new ATOM 0 HD21 ASN A 83 -9.438 -15.195 -11.205 1.00 1.83 H new ATOM 0 HD22 ASN A 83 -10.802 -14.980 -12.308 1.00 1.83 H new ATOM 1194 N GLN A 84 -8.905 -11.676 -15.727 1.00 1.71 N ATOM 1195 CA GLN A 84 -7.811 -10.936 -16.323 1.00 1.69 C ATOM 1196 C GLN A 84 -7.997 -9.454 -16.046 1.00 1.55 C ATOM 1197 O GLN A 84 -8.600 -9.097 -15.039 1.00 2.16 O ATOM 1198 CB GLN A 84 -7.698 -11.308 -17.809 1.00 1.83 C ATOM 1199 CG GLN A 84 -8.915 -10.918 -18.657 1.00 2.20 C ATOM 1200 CD GLN A 84 -8.696 -11.338 -20.103 1.00 3.02 C ATOM 1201 OE1 GLN A 84 -9.395 -12.197 -20.632 1.00 3.70 O ATOM 1202 NE2 GLN A 84 -7.676 -10.787 -20.749 1.00 4.10 N ATOM 0 H GLN A 84 -9.771 -11.150 -15.613 1.00 1.71 H new ATOM 0 HA GLN A 84 -6.852 -11.202 -15.877 1.00 1.69 H new ATOM 0 HB2 GLN A 84 -6.812 -10.827 -18.224 1.00 1.83 H new ATOM 0 HB3 GLN A 84 -7.544 -12.384 -17.890 1.00 1.83 H new ATOM 0 HG2 GLN A 84 -9.812 -11.396 -18.263 1.00 2.20 H new ATOM 0 HG3 GLN A 84 -9.077 -9.841 -18.603 1.00 2.20 H new ATOM 0 HE21 GLN A 84 -7.107 -10.075 -20.291 1.00 4.10 H new ATOM 0 HE22 GLN A 84 -7.461 -11.076 -21.703 1.00 4.10 H new ATOM 1211 N CYS A 85 -7.469 -8.599 -16.914 1.00 1.38 N ATOM 1212 CA CYS A 85 -7.616 -7.160 -16.833 1.00 1.27 C ATOM 1213 C CYS A 85 -8.186 -6.734 -18.175 1.00 1.28 C ATOM 1214 O CYS A 85 -7.440 -6.300 -19.051 1.00 2.22 O ATOM 1215 CB CYS A 85 -6.252 -6.529 -16.537 1.00 1.44 C ATOM 1216 SG CYS A 85 -5.919 -6.409 -14.771 1.00 2.18 S ATOM 0 H CYS A 85 -6.912 -8.901 -17.714 1.00 1.38 H new ATOM 0 HA CYS A 85 -8.279 -6.836 -16.031 1.00 1.27 H new ATOM 0 HB2 CYS A 85 -5.470 -7.122 -17.012 1.00 1.44 H new ATOM 0 HB3 CYS A 85 -6.211 -5.534 -16.980 1.00 1.44 H new ATOM 1221 N VAL A 86 -9.494 -6.939 -18.348 1.00 1.36 N ATOM 1222 CA VAL A 86 -10.250 -6.795 -19.593 1.00 1.48 C ATOM 1223 C VAL A 86 -9.649 -7.705 -20.678 1.00 2.51 C ATOM 1224 O VAL A 86 -8.512 -8.150 -20.554 1.00 3.32 O ATOM 1225 CB VAL A 86 -10.351 -5.300 -19.988 1.00 1.22 C ATOM 1226 CG1 VAL A 86 -10.594 -5.034 -21.481 1.00 1.59 C ATOM 1227 CG2 VAL A 86 -11.451 -4.620 -19.171 1.00 1.25 C ATOM 0 H VAL A 86 -10.090 -7.228 -17.573 1.00 1.36 H new ATOM 0 HA VAL A 86 -11.278 -7.131 -19.459 1.00 1.48 H new ATOM 0 HB VAL A 86 -9.370 -4.881 -19.767 1.00 1.22 H new ATOM 0 HG11 VAL A 86 -10.649 -3.959 -21.655 1.00 1.59 H new ATOM 0 HG12 VAL A 86 -9.774 -5.454 -22.064 1.00 1.59 H new ATOM 0 HG13 VAL A 86 -11.531 -5.499 -21.786 1.00 1.59 H new ATOM 0 HG21 VAL A 86 -11.517 -3.569 -19.453 1.00 1.25 H new ATOM 0 HG22 VAL A 86 -12.405 -5.109 -19.367 1.00 1.25 H new ATOM 0 HG23 VAL A 86 -11.216 -4.696 -18.109 1.00 1.25 H new ATOM 1237 N GLY A 87 -10.402 -8.012 -21.731 1.00 2.91 N ATOM 1238 CA GLY A 87 -10.000 -8.846 -22.860 1.00 4.09 C ATOM 1239 C GLY A 87 -8.509 -8.754 -23.207 1.00 4.44 C ATOM 1240 O GLY A 87 -7.858 -9.790 -23.373 1.00 5.66 O ATOM 0 H GLY A 87 -11.358 -7.668 -21.824 1.00 2.91 H new ATOM 0 HA2 GLY A 87 -10.247 -9.884 -22.637 1.00 4.09 H new ATOM 0 HA3 GLY A 87 -10.584 -8.560 -23.735 1.00 4.09 H new ATOM 1244 N GLY A 88 -7.945 -7.541 -23.264 1.00 4.01 N ATOM 1245 CA GLY A 88 -6.511 -7.357 -23.428 1.00 4.79 C ATOM 1246 C GLY A 88 -5.998 -6.006 -22.928 1.00 4.23 C ATOM 1247 O GLY A 88 -5.126 -5.422 -23.570 1.00 4.58 O ATOM 0 H GLY A 88 -8.472 -6.670 -23.198 1.00 4.01 H new ATOM 0 HA2 GLY A 88 -5.989 -8.152 -22.895 1.00 4.79 H new ATOM 0 HA3 GLY A 88 -6.260 -7.462 -24.483 1.00 4.79 H new ATOM 1251 N LYS A 89 -6.472 -5.517 -21.777 1.00 3.89 N ATOM 1252 CA LYS A 89 -5.754 -4.479 -21.036 1.00 3.60 C ATOM 1253 C LYS A 89 -4.820 -5.168 -20.027 1.00 3.87 C ATOM 1254 O LYS A 89 -4.707 -6.398 -20.006 1.00 4.56 O ATOM 1255 CB LYS A 89 -6.720 -3.495 -20.385 1.00 4.11 C ATOM 1256 CG LYS A 89 -7.499 -2.668 -21.426 1.00 4.55 C ATOM 1257 CD LYS A 89 -7.360 -1.180 -21.057 1.00 5.05 C ATOM 1258 CE LYS A 89 -8.466 -0.202 -21.503 1.00 6.34 C ATOM 1259 NZ LYS A 89 -9.818 -0.803 -21.554 1.00 7.50 N ATOM 0 H LYS A 89 -7.343 -5.822 -21.342 1.00 3.89 H new ATOM 0 HA LYS A 89 -5.147 -3.878 -21.713 1.00 3.60 H new ATOM 0 HB2 LYS A 89 -7.424 -4.041 -19.757 1.00 4.11 H new ATOM 0 HB3 LYS A 89 -6.165 -2.822 -19.731 1.00 4.11 H new ATOM 0 HG2 LYS A 89 -7.107 -2.850 -22.427 1.00 4.55 H new ATOM 0 HG3 LYS A 89 -8.549 -2.961 -21.436 1.00 4.55 H new ATOM 0 HD2 LYS A 89 -7.278 -1.114 -19.972 1.00 5.05 H new ATOM 0 HD3 LYS A 89 -6.417 -0.823 -21.470 1.00 5.05 H new ATOM 0 HE2 LYS A 89 -8.483 0.647 -20.820 1.00 6.34 H new ATOM 0 HE3 LYS A 89 -8.216 0.188 -22.490 1.00 6.34 H new ATOM 0 HZ1 LYS A 89 -10.513 -0.073 -21.812 1.00 7.50 H new ATOM 0 HZ2 LYS A 89 -9.834 -1.563 -22.264 1.00 7.50 H new ATOM 0 HZ3 LYS A 89 -10.059 -1.196 -20.622 1.00 7.50 H new ATOM 1273 N LYS A 90 -4.135 -4.405 -19.178 1.00 3.78 N ATOM 1274 CA LYS A 90 -3.291 -4.877 -18.113 1.00 4.21 C ATOM 1275 C LYS A 90 -3.320 -3.796 -17.024 1.00 2.96 C ATOM 1276 O LYS A 90 -2.973 -2.647 -17.296 1.00 3.11 O ATOM 1277 CB LYS A 90 -1.899 -5.123 -18.705 1.00 5.51 C ATOM 1278 CG LYS A 90 -0.972 -5.665 -17.629 1.00 6.26 C ATOM 1279 CD LYS A 90 0.404 -6.105 -18.157 1.00 7.52 C ATOM 1280 CE LYS A 90 0.474 -7.529 -18.741 1.00 9.45 C ATOM 1281 NZ LYS A 90 -0.143 -7.687 -20.072 1.00 10.33 N ATOM 0 H LYS A 90 -4.164 -3.387 -19.228 1.00 3.78 H new ATOM 0 HA LYS A 90 -3.617 -5.815 -17.664 1.00 4.21 H new ATOM 0 HB2 LYS A 90 -1.965 -5.830 -19.532 1.00 5.51 H new ATOM 0 HB3 LYS A 90 -1.497 -4.195 -19.111 1.00 5.51 H new ATOM 0 HG2 LYS A 90 -0.830 -4.900 -16.866 1.00 6.26 H new ATOM 0 HG3 LYS A 90 -1.452 -6.514 -17.143 1.00 6.26 H new ATOM 0 HD2 LYS A 90 0.719 -5.401 -18.927 1.00 7.52 H new ATOM 0 HD3 LYS A 90 1.125 -6.031 -17.343 1.00 7.52 H new ATOM 0 HE2 LYS A 90 1.520 -7.829 -18.804 1.00 9.45 H new ATOM 0 HE3 LYS A 90 -0.013 -8.215 -18.047 1.00 9.45 H new ATOM 0 HZ1 LYS A 90 0.243 -8.534 -20.535 1.00 10.33 H new ATOM 0 HZ2 LYS A 90 -1.173 -7.788 -19.967 1.00 10.33 H new ATOM 0 HZ3 LYS A 90 0.065 -6.850 -20.653 1.00 10.33 H new ATOM 1295 N CYS A 91 -3.727 -4.153 -15.804 1.00 2.24 N ATOM 1296 CA CYS A 91 -3.995 -3.190 -14.729 1.00 1.24 C ATOM 1297 C CYS A 91 -2.721 -3.062 -13.915 1.00 1.11 C ATOM 1298 O CYS A 91 -2.215 -1.974 -13.659 1.00 2.59 O ATOM 1299 CB CYS A 91 -5.088 -3.642 -13.739 1.00 1.96 C ATOM 1300 SG CYS A 91 -6.580 -4.494 -14.278 1.00 2.77 S ATOM 0 H CYS A 91 -3.881 -5.123 -15.531 1.00 2.24 H new ATOM 0 HA CYS A 91 -4.329 -2.268 -15.205 1.00 1.24 H new ATOM 0 HB2 CYS A 91 -4.602 -4.292 -13.011 1.00 1.96 H new ATOM 0 HB3 CYS A 91 -5.413 -2.750 -13.203 1.00 1.96 H new ATOM 1305 N ARG A 92 -2.201 -4.216 -13.500 1.00 1.16 N ATOM 1306 CA ARG A 92 -0.939 -4.384 -12.817 1.00 0.80 C ATOM 1307 C ARG A 92 -0.988 -3.910 -11.364 1.00 0.96 C ATOM 1308 O ARG A 92 -0.726 -4.701 -10.463 1.00 2.12 O ATOM 1309 CB ARG A 92 0.202 -3.790 -13.656 1.00 0.87 C ATOM 1310 CG ARG A 92 1.577 -4.360 -13.308 1.00 1.50 C ATOM 1311 CD ARG A 92 1.586 -5.892 -13.199 1.00 1.20 C ATOM 1312 NE ARG A 92 2.949 -6.426 -13.329 1.00 1.81 N ATOM 1313 CZ ARG A 92 3.243 -7.725 -13.506 1.00 2.37 C ATOM 1314 NH1 ARG A 92 2.271 -8.636 -13.504 1.00 3.12 N ATOM 1315 NH2 ARG A 92 4.512 -8.098 -13.668 1.00 3.00 N ATOM 0 H ARG A 92 -2.684 -5.103 -13.644 1.00 1.16 H new ATOM 0 HA ARG A 92 -0.726 -5.449 -12.727 1.00 0.80 H new ATOM 0 HB2 ARG A 92 -0.001 -3.972 -14.711 1.00 0.87 H new ATOM 0 HB3 ARG A 92 0.220 -2.709 -13.517 1.00 0.87 H new ATOM 0 HG2 ARG A 92 2.294 -4.052 -14.069 1.00 1.50 H new ATOM 0 HG3 ARG A 92 1.912 -3.933 -12.363 1.00 1.50 H new ATOM 0 HD2 ARG A 92 1.164 -6.193 -12.240 1.00 1.20 H new ATOM 0 HD3 ARG A 92 0.950 -6.318 -13.975 1.00 1.20 H new ATOM 0 HE ARG A 92 3.725 -5.765 -13.282 1.00 1.81 H new ATOM 0 HH11 ARG A 92 1.302 -8.348 -13.368 1.00 3.12 H new ATOM 0 HH12 ARG A 92 2.496 -9.622 -13.639 1.00 3.12 H new ATOM 0 HH21 ARG A 92 5.254 -7.399 -13.657 1.00 3.00 H new ATOM 0 HH22 ARG A 92 4.741 -9.083 -13.803 1.00 3.00 H new ATOM 1329 N HIS A 93 -1.371 -2.666 -11.080 1.00 0.70 N ATOM 1330 CA HIS A 93 -1.456 -2.264 -9.679 1.00 0.61 C ATOM 1331 C HIS A 93 -2.685 -2.913 -9.041 1.00 0.54 C ATOM 1332 O HIS A 93 -2.581 -3.543 -7.988 1.00 0.53 O ATOM 1333 CB HIS A 93 -1.485 -0.741 -9.502 1.00 0.66 C ATOM 1334 CG HIS A 93 -0.202 0.001 -9.790 1.00 0.77 C ATOM 1335 ND1 HIS A 93 -0.124 1.358 -10.045 1.00 1.22 N ATOM 1336 CD2 HIS A 93 1.077 -0.490 -9.729 1.00 0.84 C ATOM 1337 CE1 HIS A 93 1.169 1.687 -10.161 1.00 1.40 C ATOM 1338 NE2 HIS A 93 1.914 0.584 -9.970 1.00 1.16 N ATOM 0 H HIS A 93 -1.616 -1.950 -11.764 1.00 0.70 H new ATOM 0 HA HIS A 93 -0.554 -2.610 -9.175 1.00 0.61 H new ATOM 0 HB2 HIS A 93 -2.263 -0.338 -10.150 1.00 0.66 H new ATOM 0 HB3 HIS A 93 -1.780 -0.524 -8.476 1.00 0.66 H new ATOM 0 HD2 HIS A 93 1.371 -1.510 -9.532 1.00 0.84 H new ATOM 0 HE1 HIS A 93 1.550 2.675 -10.373 1.00 1.40 H new ATOM 0 HE2 HIS A 93 2.933 0.546 -9.998 1.00 1.16 H new ATOM 1347 N TYR A 94 -3.846 -2.773 -9.684 1.00 0.57 N ATOM 1348 CA TYR A 94 -5.102 -3.264 -9.132 1.00 0.52 C ATOM 1349 C TYR A 94 -5.047 -4.755 -8.810 1.00 0.46 C ATOM 1350 O TYR A 94 -5.545 -5.193 -7.779 1.00 0.41 O ATOM 1351 CB TYR A 94 -6.261 -2.990 -10.090 1.00 0.56 C ATOM 1352 CG TYR A 94 -7.588 -3.405 -9.492 1.00 0.65 C ATOM 1353 CD1 TYR A 94 -8.138 -2.617 -8.470 1.00 1.94 C ATOM 1354 CD2 TYR A 94 -8.129 -4.677 -9.759 1.00 1.34 C ATOM 1355 CE1 TYR A 94 -9.285 -3.047 -7.788 1.00 2.33 C ATOM 1356 CE2 TYR A 94 -9.253 -5.126 -9.047 1.00 1.40 C ATOM 1357 CZ TYR A 94 -9.844 -4.301 -8.075 1.00 1.53 C ATOM 1358 OH TYR A 94 -10.976 -4.695 -7.426 1.00 2.02 O ATOM 0 H TYR A 94 -3.938 -2.320 -10.593 1.00 0.57 H new ATOM 0 HA TYR A 94 -5.266 -2.724 -8.200 1.00 0.52 H new ATOM 0 HB2 TYR A 94 -6.288 -1.928 -10.335 1.00 0.56 H new ATOM 0 HB3 TYR A 94 -6.097 -3.529 -11.023 1.00 0.56 H new ATOM 0 HD1 TYR A 94 -7.677 -1.676 -8.208 1.00 1.94 H new ATOM 0 HD2 TYR A 94 -7.679 -5.308 -10.512 1.00 1.34 H new ATOM 0 HE1 TYR A 94 -9.738 -2.412 -7.041 1.00 2.33 H new ATOM 0 HE2 TYR A 94 -9.663 -6.105 -9.246 1.00 1.40 H new ATOM 0 HH TYR A 94 -11.754 -4.536 -8.000 1.00 2.02 H new ATOM 1368 N THR A 95 -4.455 -5.551 -9.693 1.00 0.51 N ATOM 1369 CA THR A 95 -4.304 -6.977 -9.472 1.00 0.47 C ATOM 1370 C THR A 95 -3.681 -7.234 -8.096 1.00 0.45 C ATOM 1371 O THR A 95 -4.182 -8.080 -7.367 1.00 0.48 O ATOM 1372 CB THR A 95 -3.466 -7.542 -10.634 1.00 0.58 C ATOM 1373 OG1 THR A 95 -2.592 -6.548 -11.141 1.00 0.75 O ATOM 1374 CG2 THR A 95 -4.369 -7.901 -11.812 1.00 0.74 C ATOM 0 H THR A 95 -4.069 -5.224 -10.578 1.00 0.51 H new ATOM 0 HA THR A 95 -5.267 -7.487 -9.462 1.00 0.47 H new ATOM 0 HB THR A 95 -2.928 -8.406 -10.245 1.00 0.58 H new ATOM 0 HG1 THR A 95 -1.690 -6.694 -10.787 1.00 0.75 H new ATOM 0 HG21 THR A 95 -3.764 -8.299 -12.626 1.00 0.74 H new ATOM 0 HG22 THR A 95 -5.095 -8.652 -11.499 1.00 0.74 H new ATOM 0 HG23 THR A 95 -4.894 -7.009 -12.153 1.00 0.74 H new ATOM 1382 N GLN A 96 -2.639 -6.495 -7.709 1.00 0.46 N ATOM 1383 CA GLN A 96 -2.047 -6.669 -6.391 1.00 0.46 C ATOM 1384 C GLN A 96 -2.976 -6.140 -5.283 1.00 0.43 C ATOM 1385 O GLN A 96 -2.980 -6.701 -4.191 1.00 0.56 O ATOM 1386 CB GLN A 96 -0.623 -6.094 -6.359 1.00 0.69 C ATOM 1387 CG GLN A 96 0.071 -6.208 -4.992 1.00 0.96 C ATOM 1388 CD GLN A 96 0.322 -7.649 -4.545 1.00 0.98 C ATOM 1389 OE1 GLN A 96 1.403 -8.183 -4.771 1.00 1.97 O ATOM 1390 NE2 GLN A 96 -0.658 -8.290 -3.916 1.00 0.92 N ATOM 0 H GLN A 96 -2.196 -5.780 -8.285 1.00 0.46 H new ATOM 0 HA GLN A 96 -1.941 -7.733 -6.181 1.00 0.46 H new ATOM 0 HB2 GLN A 96 -0.018 -6.609 -7.105 1.00 0.69 H new ATOM 0 HB3 GLN A 96 -0.660 -5.044 -6.649 1.00 0.69 H new ATOM 0 HG2 GLN A 96 1.023 -5.679 -5.033 1.00 0.96 H new ATOM 0 HG3 GLN A 96 -0.540 -5.706 -4.242 1.00 0.96 H new ATOM 0 HE21 GLN A 96 -1.546 -7.819 -3.742 1.00 0.92 H new ATOM 0 HE22 GLN A 96 -0.522 -9.252 -3.607 1.00 0.92 H new ATOM 1399 N VAL A 97 -3.772 -5.094 -5.532 1.00 0.38 N ATOM 1400 CA VAL A 97 -4.776 -4.634 -4.564 1.00 0.40 C ATOM 1401 C VAL A 97 -5.733 -5.779 -4.232 1.00 0.42 C ATOM 1402 O VAL A 97 -6.021 -6.052 -3.070 1.00 0.53 O ATOM 1403 CB VAL A 97 -5.550 -3.402 -5.086 1.00 0.46 C ATOM 1404 CG1 VAL A 97 -6.697 -2.975 -4.158 1.00 0.58 C ATOM 1405 CG2 VAL A 97 -4.601 -2.213 -5.232 1.00 0.54 C ATOM 0 H VAL A 97 -3.741 -4.550 -6.394 1.00 0.38 H new ATOM 0 HA VAL A 97 -4.260 -4.325 -3.655 1.00 0.40 H new ATOM 0 HB VAL A 97 -5.975 -3.696 -6.046 1.00 0.46 H new ATOM 0 HG11 VAL A 97 -7.201 -2.105 -4.579 1.00 0.58 H new ATOM 0 HG12 VAL A 97 -7.409 -3.794 -4.058 1.00 0.58 H new ATOM 0 HG13 VAL A 97 -6.296 -2.722 -3.177 1.00 0.58 H new ATOM 0 HG21 VAL A 97 -5.154 -1.349 -5.600 1.00 0.54 H new ATOM 0 HG22 VAL A 97 -4.162 -1.977 -4.263 1.00 0.54 H new ATOM 0 HG23 VAL A 97 -3.809 -2.464 -5.937 1.00 0.54 H new ATOM 1415 N VAL A 98 -6.223 -6.447 -5.269 1.00 0.38 N ATOM 1416 CA VAL A 98 -7.235 -7.477 -5.166 1.00 0.39 C ATOM 1417 C VAL A 98 -6.698 -8.864 -4.813 1.00 0.44 C ATOM 1418 O VAL A 98 -7.411 -9.649 -4.192 1.00 0.61 O ATOM 1419 CB VAL A 98 -8.154 -7.406 -6.409 1.00 0.38 C ATOM 1420 CG1 VAL A 98 -8.036 -8.620 -7.336 1.00 0.45 C ATOM 1421 CG2 VAL A 98 -9.604 -7.296 -5.950 1.00 0.41 C ATOM 0 H VAL A 98 -5.916 -6.279 -6.227 1.00 0.38 H new ATOM 0 HA VAL A 98 -7.855 -7.273 -4.293 1.00 0.39 H new ATOM 0 HB VAL A 98 -7.835 -6.533 -6.978 1.00 0.38 H new ATOM 0 HG11 VAL A 98 -8.710 -8.497 -8.184 1.00 0.45 H new ATOM 0 HG12 VAL A 98 -7.011 -8.704 -7.697 1.00 0.45 H new ATOM 0 HG13 VAL A 98 -8.303 -9.524 -6.788 1.00 0.45 H new ATOM 0 HG21 VAL A 98 -10.258 -7.245 -6.820 1.00 0.41 H new ATOM 0 HG22 VAL A 98 -9.863 -8.169 -5.351 1.00 0.41 H new ATOM 0 HG23 VAL A 98 -9.728 -6.395 -5.350 1.00 0.41 H new ATOM 1431 N TRP A 99 -5.442 -9.142 -5.174 1.00 0.51 N ATOM 1432 CA TRP A 99 -4.855 -10.467 -5.269 1.00 0.53 C ATOM 1433 C TRP A 99 -5.383 -11.448 -4.226 1.00 0.59 C ATOM 1434 O TRP A 99 -5.020 -11.366 -3.051 1.00 0.60 O ATOM 1435 CB TRP A 99 -3.337 -10.360 -5.157 1.00 0.52 C ATOM 1436 CG TRP A 99 -2.576 -11.521 -5.706 1.00 0.58 C ATOM 1437 CD1 TRP A 99 -1.982 -12.498 -4.985 1.00 0.70 C ATOM 1438 CD2 TRP A 99 -2.231 -11.781 -7.097 1.00 0.60 C ATOM 1439 NE1 TRP A 99 -1.256 -13.314 -5.825 1.00 0.75 N ATOM 1440 CE2 TRP A 99 -1.358 -12.905 -7.137 1.00 0.71 C ATOM 1441 CE3 TRP A 99 -2.507 -11.134 -8.321 1.00 0.62 C ATOM 1442 CZ2 TRP A 99 -0.739 -13.320 -8.321 1.00 0.85 C ATOM 1443 CZ3 TRP A 99 -1.951 -11.594 -9.528 1.00 0.77 C ATOM 1444 CH2 TRP A 99 -1.040 -12.662 -9.524 1.00 0.91 C ATOM 0 H TRP A 99 -4.779 -8.406 -5.419 1.00 0.51 H new ATOM 0 HA TRP A 99 -5.144 -10.868 -6.240 1.00 0.53 H new ATOM 0 HB2 TRP A 99 -3.013 -9.457 -5.674 1.00 0.52 H new ATOM 0 HB3 TRP A 99 -3.074 -10.238 -4.106 1.00 0.52 H new ATOM 0 HD1 TRP A 99 -2.064 -12.620 -3.915 1.00 0.70 H new ATOM 0 HE1 TRP A 99 -0.712 -14.119 -5.515 1.00 0.75 H new ATOM 0 HE3 TRP A 99 -3.156 -10.271 -8.331 1.00 0.62 H new ATOM 0 HZ2 TRP A 99 -0.036 -14.140 -8.310 1.00 0.85 H new ATOM 0 HZ3 TRP A 99 -2.226 -11.124 -10.461 1.00 0.77 H new ATOM 0 HH2 TRP A 99 -0.572 -12.977 -10.445 1.00 0.91 H new ATOM 1455 N ARG A 100 -6.233 -12.377 -4.647 1.00 0.69 N ATOM 1456 CA ARG A 100 -6.897 -13.348 -3.799 1.00 0.77 C ATOM 1457 C ARG A 100 -5.919 -13.984 -2.816 1.00 0.65 C ATOM 1458 O ARG A 100 -6.203 -14.060 -1.625 1.00 0.71 O ATOM 1459 CB ARG A 100 -7.636 -14.361 -4.688 1.00 0.91 C ATOM 1460 CG ARG A 100 -8.534 -15.317 -3.894 1.00 1.07 C ATOM 1461 CD ARG A 100 -7.835 -16.645 -3.578 1.00 1.92 C ATOM 1462 NE ARG A 100 -8.500 -17.306 -2.447 1.00 2.67 N ATOM 1463 CZ ARG A 100 -8.838 -18.599 -2.343 1.00 3.75 C ATOM 1464 NH1 ARG A 100 -8.732 -19.439 -3.376 1.00 4.39 N ATOM 1465 NH2 ARG A 100 -9.300 -19.067 -1.189 1.00 5.05 N ATOM 0 H ARG A 100 -6.486 -12.475 -5.630 1.00 0.69 H new ATOM 0 HA ARG A 100 -7.643 -12.858 -3.173 1.00 0.77 H new ATOM 0 HB2 ARG A 100 -8.243 -13.822 -5.415 1.00 0.91 H new ATOM 0 HB3 ARG A 100 -6.905 -14.942 -5.251 1.00 0.91 H new ATOM 0 HG2 ARG A 100 -8.837 -14.838 -2.963 1.00 1.07 H new ATOM 0 HG3 ARG A 100 -9.443 -15.514 -4.462 1.00 1.07 H new ATOM 0 HD2 ARG A 100 -7.857 -17.294 -4.453 1.00 1.92 H new ATOM 0 HD3 ARG A 100 -6.786 -16.466 -3.340 1.00 1.92 H new ATOM 0 HE ARG A 100 -8.731 -16.713 -1.650 1.00 2.67 H new ATOM 0 HH11 ARG A 100 -8.386 -19.102 -4.274 1.00 4.39 H new ATOM 0 HH12 ARG A 100 -8.997 -20.418 -3.267 1.00 4.39 H new ATOM 0 HH21 ARG A 100 -9.396 -18.443 -0.388 1.00 5.05 H new ATOM 0 HH22 ARG A 100 -9.559 -20.050 -1.104 1.00 5.05 H new ATOM 1479 N ASN A 101 -4.756 -14.400 -3.306 1.00 0.55 N ATOM 1480 CA ASN A 101 -3.813 -15.155 -2.493 1.00 0.51 C ATOM 1481 C ASN A 101 -3.197 -14.317 -1.365 1.00 0.55 C ATOM 1482 O ASN A 101 -2.759 -14.883 -0.364 1.00 1.18 O ATOM 1483 CB ASN A 101 -2.729 -15.785 -3.381 1.00 0.65 C ATOM 1484 CG ASN A 101 -2.278 -17.140 -2.843 1.00 1.20 C ATOM 1485 OD1 ASN A 101 -2.377 -18.146 -3.543 1.00 1.74 O ATOM 1486 ND2 ASN A 101 -1.823 -17.199 -1.604 1.00 2.10 N ATOM 0 H ASN A 101 -4.445 -14.227 -4.262 1.00 0.55 H new ATOM 0 HA ASN A 101 -4.373 -15.953 -2.004 1.00 0.51 H new ATOM 0 HB2 ASN A 101 -3.112 -15.905 -4.394 1.00 0.65 H new ATOM 0 HB3 ASN A 101 -1.872 -15.114 -3.442 1.00 0.65 H new ATOM 0 HD21 ASN A 101 -1.543 -18.095 -1.206 1.00 2.10 H new ATOM 0 HD22 ASN A 101 -1.751 -16.348 -1.046 1.00 2.10 H new ATOM 1493 N SER A 102 -3.119 -12.988 -1.503 1.00 0.57 N ATOM 1494 CA SER A 102 -2.404 -12.153 -0.541 1.00 0.57 C ATOM 1495 C SER A 102 -3.347 -11.865 0.630 1.00 0.61 C ATOM 1496 O SER A 102 -4.508 -11.518 0.405 1.00 0.94 O ATOM 1497 CB SER A 102 -1.978 -10.827 -1.184 1.00 0.71 C ATOM 1498 OG SER A 102 -1.118 -11.012 -2.298 1.00 1.75 O ATOM 0 H SER A 102 -3.544 -12.471 -2.273 1.00 0.57 H new ATOM 0 HA SER A 102 -1.508 -12.673 -0.202 1.00 0.57 H new ATOM 0 HB2 SER A 102 -2.866 -10.280 -1.502 1.00 0.71 H new ATOM 0 HB3 SER A 102 -1.474 -10.212 -0.439 1.00 0.71 H new ATOM 0 HG SER A 102 -0.328 -11.522 -2.021 1.00 1.75 H new ATOM 1504 N VAL A 103 -2.867 -12.002 1.865 1.00 0.57 N ATOM 1505 CA VAL A 103 -3.677 -11.811 3.065 1.00 0.57 C ATOM 1506 C VAL A 103 -3.031 -10.838 4.046 1.00 0.54 C ATOM 1507 O VAL A 103 -3.693 -10.347 4.961 1.00 0.71 O ATOM 1508 CB VAL A 103 -4.021 -13.158 3.720 1.00 0.66 C ATOM 1509 CG1 VAL A 103 -4.908 -14.000 2.795 1.00 0.77 C ATOM 1510 CG2 VAL A 103 -2.774 -13.962 4.109 1.00 0.73 C ATOM 0 H VAL A 103 -1.897 -12.251 2.061 1.00 0.57 H new ATOM 0 HA VAL A 103 -4.616 -11.351 2.757 1.00 0.57 H new ATOM 0 HB VAL A 103 -4.563 -12.925 4.637 1.00 0.66 H new ATOM 0 HG11 VAL A 103 -5.140 -14.949 3.278 1.00 0.77 H new ATOM 0 HG12 VAL A 103 -5.833 -13.462 2.590 1.00 0.77 H new ATOM 0 HG13 VAL A 103 -4.382 -14.188 1.859 1.00 0.77 H new ATOM 0 HG21 VAL A 103 -3.076 -14.904 4.567 1.00 0.73 H new ATOM 0 HG22 VAL A 103 -2.180 -14.166 3.218 1.00 0.73 H new ATOM 0 HG23 VAL A 103 -2.178 -13.388 4.819 1.00 0.73 H new ATOM 1520 N ARG A 104 -1.754 -10.535 3.850 1.00 0.58 N ATOM 1521 CA ARG A 104 -1.027 -9.550 4.625 1.00 0.56 C ATOM 1522 C ARG A 104 -0.736 -8.358 3.728 1.00 0.52 C ATOM 1523 O ARG A 104 -0.418 -8.545 2.551 1.00 0.66 O ATOM 1524 CB ARG A 104 0.291 -10.144 5.110 1.00 0.63 C ATOM 1525 CG ARG A 104 0.085 -11.504 5.772 1.00 0.95 C ATOM 1526 CD ARG A 104 1.165 -11.750 6.823 1.00 1.80 C ATOM 1527 NE ARG A 104 1.655 -13.129 6.764 1.00 2.01 N ATOM 1528 CZ ARG A 104 1.663 -13.974 7.805 1.00 2.72 C ATOM 1529 NH1 ARG A 104 1.456 -13.527 9.047 1.00 3.34 N ATOM 1530 NH2 ARG A 104 1.828 -15.274 7.596 1.00 3.70 N ATOM 0 H ARG A 104 -1.186 -10.981 3.130 1.00 0.58 H new ATOM 0 HA ARG A 104 -1.619 -9.245 5.488 1.00 0.56 H new ATOM 0 HB2 ARG A 104 0.975 -10.249 4.268 1.00 0.63 H new ATOM 0 HB3 ARG A 104 0.760 -9.461 5.819 1.00 0.63 H new ATOM 0 HG2 ARG A 104 -0.900 -11.545 6.237 1.00 0.95 H new ATOM 0 HG3 ARG A 104 0.115 -12.291 5.019 1.00 0.95 H new ATOM 0 HD2 ARG A 104 1.994 -11.060 6.666 1.00 1.80 H new ATOM 0 HD3 ARG A 104 0.764 -11.546 7.816 1.00 1.80 H new ATOM 0 HE ARG A 104 2.014 -13.469 5.872 1.00 2.01 H new ATOM 0 HH11 ARG A 104 1.290 -12.534 9.211 1.00 3.34 H new ATOM 0 HH12 ARG A 104 1.464 -14.179 9.832 1.00 3.34 H new ATOM 0 HH21 ARG A 104 1.948 -15.627 6.646 1.00 3.70 H new ATOM 0 HH22 ARG A 104 1.835 -15.921 8.385 1.00 3.70 H new ATOM 1544 N LEU A 105 -0.828 -7.150 4.278 1.00 0.52 N ATOM 1545 CA LEU A 105 -0.461 -5.912 3.614 1.00 0.49 C ATOM 1546 C LEU A 105 0.373 -5.141 4.641 1.00 0.50 C ATOM 1547 O LEU A 105 0.139 -5.271 5.843 1.00 0.75 O ATOM 1548 CB LEU A 105 -1.763 -5.175 3.255 1.00 0.58 C ATOM 1549 CG LEU A 105 -1.692 -4.218 2.052 1.00 0.84 C ATOM 1550 CD1 LEU A 105 -3.061 -3.549 1.908 1.00 1.87 C ATOM 1551 CD2 LEU A 105 -0.597 -3.147 2.089 1.00 2.11 C ATOM 0 H LEU A 105 -1.171 -7.006 5.228 1.00 0.52 H new ATOM 0 HA LEU A 105 0.109 -6.046 2.694 1.00 0.49 H new ATOM 0 HB2 LEU A 105 -2.534 -5.919 3.056 1.00 0.58 H new ATOM 0 HB3 LEU A 105 -2.086 -4.606 4.127 1.00 0.58 H new ATOM 0 HG LEU A 105 -1.420 -4.836 1.196 1.00 0.84 H new ATOM 0 HD11 LEU A 105 -3.043 -2.863 1.061 1.00 1.87 H new ATOM 0 HD12 LEU A 105 -3.823 -4.311 1.742 1.00 1.87 H new ATOM 0 HD13 LEU A 105 -3.293 -2.996 2.818 1.00 1.87 H new ATOM 0 HD21 LEU A 105 -0.653 -2.538 1.186 1.00 2.11 H new ATOM 0 HD22 LEU A 105 -0.738 -2.512 2.964 1.00 2.11 H new ATOM 0 HD23 LEU A 105 0.380 -3.627 2.143 1.00 2.11 H new ATOM 1563 N GLY A 106 1.351 -4.351 4.215 1.00 0.51 N ATOM 1564 CA GLY A 106 2.008 -3.397 5.086 1.00 0.49 C ATOM 1565 C GLY A 106 2.661 -2.327 4.230 1.00 0.47 C ATOM 1566 O GLY A 106 3.253 -2.634 3.197 1.00 0.54 O ATOM 0 H GLY A 106 1.707 -4.357 3.259 1.00 0.51 H new ATOM 0 HA2 GLY A 106 1.286 -2.947 5.767 1.00 0.49 H new ATOM 0 HA3 GLY A 106 2.756 -3.899 5.700 1.00 0.49 H new ATOM 1570 N CYS A 107 2.511 -1.069 4.630 1.00 0.51 N ATOM 1571 CA CYS A 107 2.968 0.082 3.870 1.00 0.55 C ATOM 1572 C CYS A 107 3.845 0.957 4.739 1.00 0.55 C ATOM 1573 O CYS A 107 3.750 0.897 5.965 1.00 0.59 O ATOM 1574 CB CYS A 107 1.769 0.902 3.405 1.00 0.67 C ATOM 1575 SG CYS A 107 0.674 0.124 2.215 1.00 1.09 S ATOM 0 H CYS A 107 2.059 -0.819 5.510 1.00 0.51 H new ATOM 0 HA CYS A 107 3.535 -0.270 3.008 1.00 0.55 H new ATOM 0 HB2 CYS A 107 1.181 1.173 4.282 1.00 0.67 H new ATOM 0 HB3 CYS A 107 2.140 1.830 2.970 1.00 0.67 H new ATOM 1580 N GLY A 108 4.668 1.777 4.093 1.00 0.63 N ATOM 1581 CA GLY A 108 5.481 2.799 4.720 1.00 0.71 C ATOM 1582 C GLY A 108 5.158 4.134 4.063 1.00 0.77 C ATOM 1583 O GLY A 108 4.303 4.204 3.175 1.00 1.32 O ATOM 0 H GLY A 108 4.787 1.742 3.081 1.00 0.63 H new ATOM 0 HA2 GLY A 108 5.278 2.843 5.790 1.00 0.71 H new ATOM 0 HA3 GLY A 108 6.540 2.566 4.606 1.00 0.71 H new ATOM 1587 N ARG A 109 5.826 5.200 4.490 1.00 0.83 N ATOM 1588 CA ARG A 109 5.749 6.512 3.877 1.00 0.73 C ATOM 1589 C ARG A 109 7.127 7.145 4.052 1.00 0.68 C ATOM 1590 O ARG A 109 7.545 7.343 5.192 1.00 1.02 O ATOM 1591 CB ARG A 109 4.653 7.343 4.569 1.00 0.93 C ATOM 1592 CG ARG A 109 4.225 8.520 3.688 1.00 0.74 C ATOM 1593 CD ARG A 109 3.407 9.554 4.469 1.00 1.43 C ATOM 1594 NE ARG A 109 2.753 10.509 3.552 1.00 1.56 N ATOM 1595 CZ ARG A 109 2.723 11.850 3.650 1.00 2.78 C ATOM 1596 NH1 ARG A 109 3.358 12.496 4.622 1.00 3.72 N ATOM 1597 NH2 ARG A 109 2.024 12.550 2.758 1.00 3.59 N ATOM 0 H ARG A 109 6.452 5.170 5.295 1.00 0.83 H new ATOM 0 HA ARG A 109 5.488 6.459 2.820 1.00 0.73 H new ATOM 0 HB2 ARG A 109 3.791 6.711 4.783 1.00 0.93 H new ATOM 0 HB3 ARG A 109 5.021 7.714 5.526 1.00 0.93 H new ATOM 0 HG2 ARG A 109 5.110 8.999 3.269 1.00 0.74 H new ATOM 0 HG3 ARG A 109 3.635 8.150 2.849 1.00 0.74 H new ATOM 0 HD2 ARG A 109 2.653 9.047 5.072 1.00 1.43 H new ATOM 0 HD3 ARG A 109 4.057 10.093 5.159 1.00 1.43 H new ATOM 0 HE ARG A 109 2.268 10.105 2.751 1.00 1.56 H new ATOM 0 HH11 ARG A 109 3.887 11.974 5.321 1.00 3.72 H new ATOM 0 HH12 ARG A 109 3.316 13.514 4.670 1.00 3.72 H new ATOM 0 HH21 ARG A 109 1.521 12.068 2.013 1.00 3.59 H new ATOM 0 HH22 ARG A 109 1.992 13.568 2.820 1.00 3.59 H new ATOM 1611 N ALA A 110 7.863 7.422 2.976 1.00 0.49 N ATOM 1612 CA ALA A 110 9.140 8.125 3.060 1.00 0.53 C ATOM 1613 C ALA A 110 9.173 9.191 1.975 1.00 0.56 C ATOM 1614 O ALA A 110 8.741 8.939 0.850 1.00 0.70 O ATOM 1615 CB ALA A 110 10.318 7.160 2.893 1.00 0.58 C ATOM 0 H ALA A 110 7.591 7.166 2.027 1.00 0.49 H new ATOM 0 HA ALA A 110 9.234 8.584 4.044 1.00 0.53 H new ATOM 0 HB1 ALA A 110 11.254 7.714 2.960 1.00 0.58 H new ATOM 0 HB2 ALA A 110 10.285 6.406 3.679 1.00 0.58 H new ATOM 0 HB3 ALA A 110 10.254 6.673 1.920 1.00 0.58 H new ATOM 1621 N ARG A 111 9.670 10.380 2.298 1.00 0.61 N ATOM 1622 CA ARG A 111 9.894 11.410 1.310 1.00 0.75 C ATOM 1623 C ARG A 111 11.261 11.162 0.663 1.00 0.80 C ATOM 1624 O ARG A 111 12.298 11.484 1.247 1.00 0.96 O ATOM 1625 CB ARG A 111 9.772 12.801 1.932 1.00 0.94 C ATOM 1626 CG ARG A 111 9.602 13.832 0.812 1.00 1.28 C ATOM 1627 CD ARG A 111 9.802 15.256 1.337 1.00 1.56 C ATOM 1628 NE ARG A 111 11.223 15.646 1.382 1.00 2.62 N ATOM 1629 CZ ARG A 111 11.955 16.009 0.317 1.00 3.96 C ATOM 1630 NH1 ARG A 111 11.408 15.931 -0.896 1.00 4.83 N ATOM 1631 NH2 ARG A 111 13.201 16.453 0.474 1.00 5.10 N ATOM 0 H ARG A 111 9.925 10.649 3.248 1.00 0.61 H new ATOM 0 HA ARG A 111 9.131 11.369 0.533 1.00 0.75 H new ATOM 0 HB2 ARG A 111 8.919 12.837 2.610 1.00 0.94 H new ATOM 0 HB3 ARG A 111 10.659 13.029 2.523 1.00 0.94 H new ATOM 0 HG2 ARG A 111 10.319 13.631 0.016 1.00 1.28 H new ATOM 0 HG3 ARG A 111 8.608 13.739 0.376 1.00 1.28 H new ATOM 0 HD2 ARG A 111 9.257 15.954 0.702 1.00 1.56 H new ATOM 0 HD3 ARG A 111 9.375 15.335 2.337 1.00 1.56 H new ATOM 0 HE ARG A 111 11.685 15.640 2.291 1.00 2.62 H new ATOM 0 HH11 ARG A 111 10.449 15.600 -1.003 1.00 4.83 H new ATOM 0 HH12 ARG A 111 11.948 16.202 -1.717 1.00 4.83 H new ATOM 0 HH21 ARG A 111 13.605 16.519 1.408 1.00 5.10 H new ATOM 0 HH22 ARG A 111 13.751 16.727 -0.340 1.00 5.10 H new ATOM 1645 N CYS A 112 11.267 10.573 -0.529 1.00 1.17 N ATOM 1646 CA CYS A 112 12.445 10.388 -1.367 1.00 1.34 C ATOM 1647 C CYS A 112 12.662 11.622 -2.233 1.00 1.64 C ATOM 1648 O CYS A 112 11.730 12.378 -2.493 1.00 2.02 O ATOM 1649 CB CYS A 112 12.271 9.199 -2.311 1.00 1.92 C ATOM 1650 SG CYS A 112 11.629 7.664 -1.637 1.00 2.37 S ATOM 0 H CYS A 112 10.419 10.198 -0.953 1.00 1.17 H new ATOM 0 HA CYS A 112 13.292 10.215 -0.703 1.00 1.34 H new ATOM 0 HB2 CYS A 112 11.609 9.510 -3.119 1.00 1.92 H new ATOM 0 HB3 CYS A 112 13.241 8.985 -2.759 1.00 1.92 H new ATOM 1655 N ASN A 113 13.875 11.791 -2.761 1.00 1.75 N ATOM 1656 CA ASN A 113 14.211 12.997 -3.512 1.00 2.17 C ATOM 1657 C ASN A 113 13.404 13.095 -4.808 1.00 2.61 C ATOM 1658 O ASN A 113 12.770 14.116 -5.076 1.00 3.10 O ATOM 1659 CB ASN A 113 15.713 13.061 -3.798 1.00 2.18 C ATOM 1660 CG ASN A 113 16.104 14.460 -4.248 1.00 2.75 C ATOM 1661 OD1 ASN A 113 15.973 14.815 -5.419 1.00 4.30 O ATOM 1662 ND2 ASN A 113 16.560 15.284 -3.316 1.00 2.92 N ATOM 0 H ASN A 113 14.634 11.114 -2.683 1.00 1.75 H new ATOM 0 HA ASN A 113 13.945 13.854 -2.894 1.00 2.17 H new ATOM 0 HB2 ASN A 113 16.273 12.790 -2.903 1.00 2.18 H new ATOM 0 HB3 ASN A 113 15.975 12.337 -4.569 1.00 2.18 H new ATOM 0 HD21 ASN A 113 16.813 16.241 -3.561 1.00 2.92 H new ATOM 0 HD22 ASN A 113 16.658 14.961 -2.353 1.00 2.92 H new ATOM 1669 N ASN A 114 13.426 12.031 -5.616 1.00 2.71 N ATOM 1670 CA ASN A 114 12.689 11.949 -6.879 1.00 3.32 C ATOM 1671 C ASN A 114 11.319 11.310 -6.705 1.00 4.13 C ATOM 1672 O ASN A 114 10.356 11.718 -7.349 1.00 4.37 O ATOM 1673 CB ASN A 114 13.468 11.187 -7.950 1.00 3.30 C ATOM 1674 CG ASN A 114 13.833 9.737 -7.614 1.00 3.78 C ATOM 1675 OD1 ASN A 114 13.579 9.226 -6.520 1.00 4.05 O ATOM 1676 ND2 ASN A 114 14.403 9.041 -8.585 1.00 4.51 N ATOM 0 H ASN A 114 13.965 11.190 -5.407 1.00 2.71 H new ATOM 0 HA ASN A 114 12.554 12.979 -7.208 1.00 3.32 H new ATOM 0 HB2 ASN A 114 12.881 11.189 -8.868 1.00 3.30 H new ATOM 0 HB3 ASN A 114 14.388 11.733 -8.159 1.00 3.30 H new ATOM 0 HD21 ASN A 114 14.642 8.060 -8.437 1.00 4.51 H new ATOM 0 HD22 ASN A 114 14.603 9.485 -9.481 1.00 4.51 H new ATOM 1683 N GLY A 115 11.221 10.297 -5.847 1.00 4.71 N ATOM 1684 CA GLY A 115 9.956 9.657 -5.538 1.00 5.60 C ATOM 1685 C GLY A 115 9.021 10.601 -4.786 1.00 4.18 C ATOM 1686 O GLY A 115 7.830 10.311 -4.673 1.00 4.73 O ATOM 0 H GLY A 115 12.019 9.901 -5.350 1.00 4.71 H new ATOM 0 HA2 GLY A 115 9.478 9.329 -6.461 1.00 5.60 H new ATOM 0 HA3 GLY A 115 10.135 8.765 -4.937 1.00 5.60 H new ATOM 1690 N TRP A 116 9.540 11.726 -4.273 1.00 2.51 N ATOM 1691 CA TRP A 116 8.810 12.634 -3.419 1.00 1.48 C ATOM 1692 C TRP A 116 8.131 11.794 -2.338 1.00 1.17 C ATOM 1693 O TRP A 116 8.822 11.008 -1.700 1.00 1.48 O ATOM 1694 CB TRP A 116 7.904 13.445 -4.320 1.00 0.97 C ATOM 1695 CG TRP A 116 8.550 14.516 -5.137 1.00 1.36 C ATOM 1696 CD1 TRP A 116 9.103 15.637 -4.628 1.00 2.08 C ATOM 1697 CD2 TRP A 116 8.599 14.666 -6.589 1.00 1.38 C ATOM 1698 NE1 TRP A 116 9.403 16.506 -5.652 1.00 2.39 N ATOM 1699 CE2 TRP A 116 9.110 15.964 -6.884 1.00 1.96 C ATOM 1700 CE3 TRP A 116 8.231 13.860 -7.691 1.00 1.44 C ATOM 1701 CZ2 TRP A 116 9.204 16.456 -8.192 1.00 2.23 C ATOM 1702 CZ3 TRP A 116 8.327 14.345 -9.008 1.00 1.88 C ATOM 1703 CH2 TRP A 116 8.793 15.646 -9.261 1.00 2.12 C ATOM 0 H TRP A 116 10.499 12.023 -4.452 1.00 2.51 H new ATOM 0 HA TRP A 116 9.417 13.360 -2.878 1.00 1.48 H new ATOM 0 HB2 TRP A 116 7.397 12.759 -4.999 1.00 0.97 H new ATOM 0 HB3 TRP A 116 7.135 13.907 -3.701 1.00 0.97 H new ATOM 0 HD1 TRP A 116 9.282 15.823 -3.579 1.00 2.08 H new ATOM 0 HE1 TRP A 116 9.795 17.438 -5.515 1.00 2.39 H new ATOM 0 HE3 TRP A 116 7.871 12.857 -7.519 1.00 1.44 H new ATOM 0 HZ2 TRP A 116 9.589 17.448 -8.376 1.00 2.23 H new ATOM 0 HZ3 TRP A 116 8.039 13.711 -9.833 1.00 1.88 H new ATOM 0 HH2 TRP A 116 8.835 16.021 -10.273 1.00 2.12 H new ATOM 1714 N TRP A 117 6.812 11.851 -2.164 1.00 0.85 N ATOM 1715 CA TRP A 117 6.197 11.063 -1.110 1.00 0.67 C ATOM 1716 C TRP A 117 5.993 9.660 -1.653 1.00 0.72 C ATOM 1717 O TRP A 117 4.982 9.362 -2.283 1.00 1.12 O ATOM 1718 CB TRP A 117 4.881 11.686 -0.629 1.00 0.76 C ATOM 1719 CG TRP A 117 5.059 12.711 0.443 1.00 0.84 C ATOM 1720 CD1 TRP A 117 4.717 14.016 0.370 1.00 1.02 C ATOM 1721 CD2 TRP A 117 5.645 12.521 1.769 1.00 0.85 C ATOM 1722 NE1 TRP A 117 5.046 14.637 1.554 1.00 1.11 N ATOM 1723 CE2 TRP A 117 5.614 13.767 2.456 1.00 1.03 C ATOM 1724 CE3 TRP A 117 6.201 11.421 2.460 1.00 0.80 C ATOM 1725 CZ2 TRP A 117 6.094 13.918 3.763 1.00 1.15 C ATOM 1726 CZ3 TRP A 117 6.679 11.555 3.779 1.00 0.94 C ATOM 1727 CH2 TRP A 117 6.624 12.802 4.428 1.00 1.09 C ATOM 0 H TRP A 117 6.171 12.416 -2.721 1.00 0.85 H new ATOM 0 HA TRP A 117 6.845 11.035 -0.234 1.00 0.67 H new ATOM 0 HB2 TRP A 117 4.375 12.145 -1.478 1.00 0.76 H new ATOM 0 HB3 TRP A 117 4.229 10.895 -0.259 1.00 0.76 H new ATOM 0 HD1 TRP A 117 4.258 14.496 -0.482 1.00 1.02 H new ATOM 0 HE1 TRP A 117 4.887 15.627 1.741 1.00 1.11 H new ATOM 0 HE3 TRP A 117 6.261 10.461 1.969 1.00 0.80 H new ATOM 0 HZ2 TRP A 117 6.057 14.880 4.252 1.00 1.15 H new ATOM 0 HZ3 TRP A 117 7.089 10.698 4.293 1.00 0.94 H new ATOM 0 HH2 TRP A 117 6.990 12.900 5.439 1.00 1.09 H new ATOM 1738 N PHE A 118 6.978 8.817 -1.366 1.00 0.56 N ATOM 1739 CA PHE A 118 6.988 7.419 -1.709 1.00 0.55 C ATOM 1740 C PHE A 118 6.228 6.643 -0.653 1.00 0.49 C ATOM 1741 O PHE A 118 6.690 6.486 0.481 1.00 0.77 O ATOM 1742 CB PHE A 118 8.418 6.924 -1.824 1.00 0.64 C ATOM 1743 CG PHE A 118 8.563 5.567 -2.484 1.00 0.81 C ATOM 1744 CD1 PHE A 118 8.179 5.373 -3.825 1.00 1.94 C ATOM 1745 CD2 PHE A 118 9.238 4.537 -1.803 1.00 1.89 C ATOM 1746 CE1 PHE A 118 8.402 4.131 -4.443 1.00 2.11 C ATOM 1747 CE2 PHE A 118 9.486 3.303 -2.430 1.00 1.97 C ATOM 1748 CZ PHE A 118 9.037 3.090 -3.740 1.00 1.30 C ATOM 0 H PHE A 118 7.819 9.110 -0.869 1.00 0.56 H new ATOM 0 HA PHE A 118 6.502 7.270 -2.673 1.00 0.55 H new ATOM 0 HB2 PHE A 118 8.997 7.653 -2.391 1.00 0.64 H new ATOM 0 HB3 PHE A 118 8.854 6.877 -0.826 1.00 0.64 H new ATOM 0 HD1 PHE A 118 7.714 6.177 -4.377 1.00 1.94 H new ATOM 0 HD2 PHE A 118 9.569 4.696 -0.787 1.00 1.89 H new ATOM 0 HE1 PHE A 118 8.084 3.974 -5.463 1.00 2.11 H new ATOM 0 HE2 PHE A 118 10.019 2.524 -1.905 1.00 1.97 H new ATOM 0 HZ PHE A 118 9.178 2.128 -4.210 1.00 1.30 H new ATOM 1758 N ILE A 119 5.050 6.178 -1.035 1.00 0.52 N ATOM 1759 CA ILE A 119 4.335 5.145 -0.329 1.00 0.53 C ATOM 1760 C ILE A 119 4.807 3.837 -0.964 1.00 0.51 C ATOM 1761 O ILE A 119 4.494 3.553 -2.123 1.00 0.69 O ATOM 1762 CB ILE A 119 2.826 5.415 -0.447 1.00 0.54 C ATOM 1763 CG1 ILE A 119 2.403 6.457 0.609 1.00 0.61 C ATOM 1764 CG2 ILE A 119 2.003 4.136 -0.277 1.00 0.58 C ATOM 1765 CD1 ILE A 119 2.806 7.885 0.236 1.00 1.12 C ATOM 0 H ILE A 119 4.560 6.519 -1.862 1.00 0.52 H new ATOM 0 HA ILE A 119 4.528 5.105 0.743 1.00 0.53 H new ATOM 0 HB ILE A 119 2.632 5.800 -1.448 1.00 0.54 H new ATOM 0 HG12 ILE A 119 1.322 6.413 0.741 1.00 0.61 H new ATOM 0 HG13 ILE A 119 2.852 6.197 1.568 1.00 0.61 H new ATOM 0 HG21 ILE A 119 0.942 4.371 -0.367 1.00 0.58 H new ATOM 0 HG22 ILE A 119 2.283 3.418 -1.048 1.00 0.58 H new ATOM 0 HG23 ILE A 119 2.197 3.706 0.706 1.00 0.58 H new ATOM 0 HD11 ILE A 119 2.481 8.571 1.018 1.00 1.12 H new ATOM 0 HD12 ILE A 119 3.889 7.942 0.131 1.00 1.12 H new ATOM 0 HD13 ILE A 119 2.335 8.161 -0.708 1.00 1.12 H new ATOM 1777 N SER A 120 5.588 3.064 -0.214 1.00 0.67 N ATOM 1778 CA SER A 120 5.887 1.675 -0.493 1.00 0.75 C ATOM 1779 C SER A 120 4.783 0.845 0.157 1.00 0.59 C ATOM 1780 O SER A 120 4.358 1.180 1.264 1.00 0.53 O ATOM 1781 CB SER A 120 7.242 1.352 0.141 1.00 0.96 C ATOM 1782 OG SER A 120 7.323 1.956 1.424 1.00 2.34 O ATOM 0 H SER A 120 6.043 3.406 0.633 1.00 0.67 H new ATOM 0 HA SER A 120 5.933 1.463 -1.561 1.00 0.75 H new ATOM 0 HB2 SER A 120 7.367 0.273 0.227 1.00 0.96 H new ATOM 0 HB3 SER A 120 8.049 1.716 -0.495 1.00 0.96 H new ATOM 0 HG SER A 120 8.118 1.625 1.892 1.00 2.34 H new ATOM 1788 N CYS A 121 4.314 -0.214 -0.503 1.00 0.64 N ATOM 1789 CA CYS A 121 3.255 -1.063 0.025 1.00 0.60 C ATOM 1790 C CYS A 121 3.524 -2.493 -0.378 1.00 0.56 C ATOM 1791 O CYS A 121 3.296 -2.851 -1.531 1.00 0.75 O ATOM 1792 CB CYS A 121 1.905 -0.606 -0.504 1.00 0.99 C ATOM 1793 SG CYS A 121 1.266 0.837 0.344 1.00 2.32 S ATOM 0 H CYS A 121 4.660 -0.504 -1.418 1.00 0.64 H new ATOM 0 HA CYS A 121 3.236 -0.992 1.113 1.00 0.60 H new ATOM 0 HB2 CYS A 121 1.995 -0.384 -1.567 1.00 0.99 H new ATOM 0 HB3 CYS A 121 1.189 -1.422 -0.408 1.00 0.99 H new ATOM 1798 N ASN A 122 4.030 -3.294 0.555 1.00 0.53 N ATOM 1799 CA ASN A 122 4.410 -4.681 0.329 1.00 0.53 C ATOM 1800 C ASN A 122 3.307 -5.587 0.888 1.00 0.51 C ATOM 1801 O ASN A 122 2.537 -5.165 1.751 1.00 0.59 O ATOM 1802 CB ASN A 122 5.795 -4.923 0.941 1.00 0.76 C ATOM 1803 CG ASN A 122 6.510 -6.119 0.322 1.00 1.08 C ATOM 1804 OD1 ASN A 122 6.253 -7.257 0.701 1.00 2.48 O ATOM 1805 ND2 ASN A 122 7.458 -5.903 -0.588 1.00 1.37 N ATOM 0 H ASN A 122 4.191 -2.986 1.514 1.00 0.53 H new ATOM 0 HA ASN A 122 4.499 -4.916 -0.732 1.00 0.53 H new ATOM 0 HB2 ASN A 122 6.407 -4.031 0.809 1.00 0.76 H new ATOM 0 HB3 ASN A 122 5.691 -5.082 2.014 1.00 0.76 H new ATOM 0 HD21 ASN A 122 7.979 -6.688 -0.978 1.00 1.37 H new ATOM 0 HD22 ASN A 122 7.663 -4.952 -0.895 1.00 1.37 H new ATOM 1812 N TYR A 123 3.167 -6.791 0.343 1.00 0.50 N ATOM 1813 CA TYR A 123 2.053 -7.708 0.551 1.00 0.55 C ATOM 1814 C TYR A 123 2.639 -9.105 0.704 1.00 0.59 C ATOM 1815 O TYR A 123 3.646 -9.391 0.055 1.00 0.63 O ATOM 1816 CB TYR A 123 1.130 -7.729 -0.680 1.00 0.52 C ATOM 1817 CG TYR A 123 0.419 -6.437 -1.032 1.00 0.50 C ATOM 1818 CD1 TYR A 123 1.146 -5.377 -1.603 1.00 1.74 C ATOM 1819 CD2 TYR A 123 -0.988 -6.382 -1.017 1.00 1.76 C ATOM 1820 CE1 TYR A 123 0.477 -4.258 -2.119 1.00 1.72 C ATOM 1821 CE2 TYR A 123 -1.658 -5.279 -1.579 1.00 1.79 C ATOM 1822 CZ TYR A 123 -0.924 -4.210 -2.120 1.00 0.54 C ATOM 1823 OH TYR A 123 -1.547 -3.213 -2.812 1.00 0.76 O ATOM 0 H TYR A 123 3.868 -7.174 -0.291 1.00 0.50 H new ATOM 0 HA TYR A 123 1.483 -7.394 1.425 1.00 0.55 H new ATOM 0 HB2 TYR A 123 1.723 -8.035 -1.542 1.00 0.52 H new ATOM 0 HB3 TYR A 123 0.375 -8.499 -0.523 1.00 0.52 H new ATOM 0 HD1 TYR A 123 2.224 -5.425 -1.644 1.00 1.74 H new ATOM 0 HD2 TYR A 123 -1.554 -7.188 -0.573 1.00 1.76 H new ATOM 0 HE1 TYR A 123 1.044 -3.429 -2.517 1.00 1.72 H new ATOM 0 HE2 TYR A 123 -2.738 -5.254 -1.594 1.00 1.79 H new ATOM 0 HH TYR A 123 -2.489 -3.168 -2.544 1.00 0.76 H new ATOM 1833 N ASP A 124 2.014 -9.989 1.487 1.00 0.65 N ATOM 1834 CA ASP A 124 2.388 -11.403 1.500 1.00 0.68 C ATOM 1835 C ASP A 124 1.163 -12.318 1.659 1.00 0.67 C ATOM 1836 O ASP A 124 0.130 -11.877 2.180 1.00 0.69 O ATOM 1837 CB ASP A 124 3.552 -11.710 2.463 1.00 0.90 C ATOM 1838 CG ASP A 124 3.177 -11.996 3.903 1.00 1.90 C ATOM 1839 OD1 ASP A 124 2.616 -13.087 4.145 1.00 2.55 O ATOM 1840 OD2 ASP A 124 3.589 -11.192 4.761 1.00 3.45 O ATOM 0 H ASP A 124 1.249 -9.750 2.118 1.00 0.65 H new ATOM 0 HA ASP A 124 2.795 -11.639 0.517 1.00 0.68 H new ATOM 0 HB2 ASP A 124 4.099 -12.569 2.075 1.00 0.90 H new ATOM 0 HB3 ASP A 124 4.238 -10.863 2.450 1.00 0.90 H new ATOM 1845 N PRO A 125 1.218 -13.561 1.145 1.00 0.73 N ATOM 1846 CA PRO A 125 2.182 -14.035 0.154 1.00 0.77 C ATOM 1847 C PRO A 125 2.053 -13.224 -1.145 1.00 0.80 C ATOM 1848 O PRO A 125 1.082 -12.488 -1.331 1.00 0.87 O ATOM 1849 CB PRO A 125 1.863 -15.516 -0.059 1.00 0.90 C ATOM 1850 CG PRO A 125 0.366 -15.570 0.222 1.00 0.90 C ATOM 1851 CD PRO A 125 0.200 -14.571 1.365 1.00 0.81 C ATOM 0 HA PRO A 125 3.213 -13.909 0.486 1.00 0.77 H new ATOM 0 HB2 PRO A 125 2.098 -15.841 -1.072 1.00 0.90 H new ATOM 0 HB3 PRO A 125 2.427 -16.155 0.620 1.00 0.90 H new ATOM 0 HG2 PRO A 125 -0.220 -15.286 -0.652 1.00 0.90 H new ATOM 0 HG3 PRO A 125 0.044 -16.571 0.510 1.00 0.90 H new ATOM 0 HD2 PRO A 125 -0.797 -14.131 1.361 1.00 0.81 H new ATOM 0 HD3 PRO A 125 0.330 -15.056 2.333 1.00 0.81 H new ATOM 1859 N VAL A 126 3.084 -13.273 -1.991 1.00 0.84 N ATOM 1860 CA VAL A 126 3.294 -12.250 -3.008 1.00 0.89 C ATOM 1861 C VAL A 126 2.246 -12.296 -4.129 1.00 0.71 C ATOM 1862 O VAL A 126 1.464 -13.246 -4.238 1.00 0.82 O ATOM 1863 CB VAL A 126 4.750 -12.263 -3.513 1.00 1.17 C ATOM 1864 CG1 VAL A 126 5.746 -12.171 -2.351 1.00 1.50 C ATOM 1865 CG2 VAL A 126 5.118 -13.434 -4.434 1.00 1.26 C ATOM 0 H VAL A 126 3.786 -14.013 -1.989 1.00 0.84 H new ATOM 0 HA VAL A 126 3.139 -11.280 -2.536 1.00 0.89 H new ATOM 0 HB VAL A 126 4.821 -11.371 -4.136 1.00 1.17 H new ATOM 0 HG11 VAL A 126 6.763 -12.183 -2.742 1.00 1.50 H new ATOM 0 HG12 VAL A 126 5.579 -11.245 -1.801 1.00 1.50 H new ATOM 0 HG13 VAL A 126 5.605 -13.020 -1.682 1.00 1.50 H new ATOM 0 HG21 VAL A 126 6.163 -13.348 -4.732 1.00 1.26 H new ATOM 0 HG22 VAL A 126 4.968 -14.375 -3.904 1.00 1.26 H new ATOM 0 HG23 VAL A 126 4.485 -13.412 -5.321 1.00 1.26 H new ATOM 1875 N GLY A 127 2.223 -11.261 -4.974 1.00 0.75 N ATOM 1876 CA GLY A 127 1.194 -11.079 -5.978 1.00 0.83 C ATOM 1877 C GLY A 127 1.699 -10.315 -7.194 1.00 0.74 C ATOM 1878 O GLY A 127 2.851 -9.901 -7.248 1.00 0.84 O ATOM 0 H GLY A 127 2.929 -10.524 -4.973 1.00 0.75 H new ATOM 0 HA2 GLY A 127 0.821 -12.054 -6.293 1.00 0.83 H new ATOM 0 HA3 GLY A 127 0.353 -10.543 -5.539 1.00 0.83 H new ATOM 1882 N ASN A 128 0.842 -10.219 -8.218 1.00 0.78 N ATOM 1883 CA ASN A 128 1.214 -9.938 -9.612 1.00 0.91 C ATOM 1884 C ASN A 128 2.121 -11.036 -10.180 1.00 1.00 C ATOM 1885 O ASN A 128 2.665 -10.898 -11.274 1.00 1.24 O ATOM 1886 CB ASN A 128 1.850 -8.547 -9.797 1.00 1.05 C ATOM 1887 CG ASN A 128 0.846 -7.411 -9.716 1.00 1.08 C ATOM 1888 OD1 ASN A 128 -0.350 -7.593 -9.943 1.00 1.56 O ATOM 1889 ND2 ASN A 128 1.323 -6.204 -9.447 1.00 1.79 N ATOM 0 H ASN A 128 -0.164 -10.339 -8.096 1.00 0.78 H new ATOM 0 HA ASN A 128 0.283 -9.933 -10.179 1.00 0.91 H new ATOM 0 HB2 ASN A 128 2.615 -8.401 -9.035 1.00 1.05 H new ATOM 0 HB3 ASN A 128 2.352 -8.511 -10.764 1.00 1.05 H new ATOM 0 HD21 ASN A 128 0.695 -5.401 -9.425 1.00 1.79 H new ATOM 0 HD22 ASN A 128 2.318 -6.078 -9.262 1.00 1.79 H new ATOM 1896 N TRP A 129 2.277 -12.132 -9.446 1.00 0.94 N ATOM 1897 CA TRP A 129 3.223 -13.199 -9.694 1.00 1.05 C ATOM 1898 C TRP A 129 2.542 -14.329 -10.459 1.00 1.18 C ATOM 1899 O TRP A 129 1.368 -14.615 -10.237 1.00 1.25 O ATOM 1900 CB TRP A 129 3.894 -13.542 -8.354 1.00 1.04 C ATOM 1901 CG TRP A 129 3.681 -14.858 -7.683 1.00 1.13 C ATOM 1902 CD1 TRP A 129 2.752 -15.091 -6.732 1.00 1.62 C ATOM 1903 CD2 TRP A 129 4.548 -16.030 -7.690 1.00 1.22 C ATOM 1904 NE1 TRP A 129 2.985 -16.318 -6.149 1.00 1.89 N ATOM 1905 CE2 TRP A 129 4.083 -16.942 -6.699 1.00 1.60 C ATOM 1906 CE3 TRP A 129 5.716 -16.390 -8.394 1.00 1.44 C ATOM 1907 CZ2 TRP A 129 4.723 -18.161 -6.436 1.00 1.85 C ATOM 1908 CZ3 TRP A 129 6.390 -17.591 -8.111 1.00 1.77 C ATOM 1909 CH2 TRP A 129 5.885 -18.488 -7.153 1.00 1.86 C ATOM 0 H TRP A 129 1.711 -12.304 -8.615 1.00 0.94 H new ATOM 0 HA TRP A 129 4.039 -12.920 -10.360 1.00 1.05 H new ATOM 0 HB2 TRP A 129 4.968 -13.434 -8.502 1.00 1.04 H new ATOM 0 HB3 TRP A 129 3.591 -12.773 -7.643 1.00 1.04 H new ATOM 0 HD1 TRP A 129 1.949 -14.419 -6.468 1.00 1.62 H new ATOM 0 HE1 TRP A 129 2.415 -16.715 -5.402 1.00 1.89 H new ATOM 0 HE3 TRP A 129 6.098 -15.733 -9.162 1.00 1.44 H new ATOM 0 HZ2 TRP A 129 4.328 -18.838 -5.693 1.00 1.85 H new ATOM 0 HZ3 TRP A 129 7.305 -17.827 -8.635 1.00 1.77 H new ATOM 0 HH2 TRP A 129 6.389 -19.425 -6.969 1.00 1.86 H new ATOM 1920 N ILE A 130 3.243 -14.908 -11.429 1.00 1.47 N ATOM 1921 CA ILE A 130 2.659 -15.876 -12.346 1.00 1.58 C ATOM 1922 C ILE A 130 2.116 -17.093 -11.576 1.00 1.59 C ATOM 1923 O ILE A 130 2.425 -17.282 -10.398 1.00 1.69 O ATOM 1924 CB ILE A 130 3.677 -16.190 -13.470 1.00 1.97 C ATOM 1925 CG1 ILE A 130 3.035 -15.967 -14.851 1.00 2.20 C ATOM 1926 CG2 ILE A 130 4.341 -17.566 -13.332 1.00 2.22 C ATOM 1927 CD1 ILE A 130 4.041 -16.066 -16.001 1.00 3.00 C ATOM 0 H ILE A 130 4.231 -14.718 -11.600 1.00 1.47 H new ATOM 0 HA ILE A 130 1.782 -15.468 -12.849 1.00 1.58 H new ATOM 0 HB ILE A 130 4.501 -15.484 -13.365 1.00 1.97 H new ATOM 0 HG12 ILE A 130 2.245 -16.703 -15.002 1.00 2.20 H new ATOM 0 HG13 ILE A 130 2.563 -14.985 -14.872 1.00 2.20 H new ATOM 0 HG21 ILE A 130 5.041 -17.716 -14.154 1.00 2.22 H new ATOM 0 HG22 ILE A 130 4.877 -17.618 -12.384 1.00 2.22 H new ATOM 0 HG23 ILE A 130 3.577 -18.343 -13.359 1.00 2.22 H new ATOM 0 HD11 ILE A 130 3.528 -15.900 -16.948 1.00 3.00 H new ATOM 0 HD12 ILE A 130 4.817 -15.312 -15.871 1.00 3.00 H new ATOM 0 HD13 ILE A 130 4.495 -17.057 -16.003 1.00 3.00 H new ATOM 1939 N GLY A 131 1.279 -17.913 -12.212 1.00 1.75 N ATOM 1940 CA GLY A 131 0.737 -19.115 -11.596 1.00 2.00 C ATOM 1941 C GLY A 131 -0.576 -18.850 -10.860 1.00 1.87 C ATOM 1942 O GLY A 131 -1.540 -19.594 -11.048 1.00 2.64 O ATOM 0 H GLY A 131 0.960 -17.759 -13.169 1.00 1.75 H new ATOM 0 HA2 GLY A 131 0.574 -19.872 -12.363 1.00 2.00 H new ATOM 0 HA3 GLY A 131 1.467 -19.522 -10.896 1.00 2.00 H new ATOM 1946 N GLN A 132 -0.627 -17.818 -10.014 1.00 1.52 N ATOM 1947 CA GLN A 132 -1.728 -17.664 -9.065 1.00 1.42 C ATOM 1948 C GLN A 132 -2.931 -16.981 -9.717 1.00 1.38 C ATOM 1949 O GLN A 132 -2.869 -16.551 -10.870 1.00 2.25 O ATOM 1950 CB GLN A 132 -1.306 -16.880 -7.810 1.00 1.38 C ATOM 1951 CG GLN A 132 0.185 -16.930 -7.466 1.00 2.21 C ATOM 1952 CD GLN A 132 0.728 -18.347 -7.330 1.00 2.70 C ATOM 1953 OE1 GLN A 132 0.188 -19.155 -6.583 1.00 3.31 O ATOM 1954 NE2 GLN A 132 1.800 -18.663 -8.042 1.00 3.74 N ATOM 0 H GLN A 132 0.077 -17.082 -9.968 1.00 1.52 H new ATOM 0 HA GLN A 132 -2.013 -18.670 -8.758 1.00 1.42 H new ATOM 0 HB2 GLN A 132 -1.595 -15.837 -7.941 1.00 1.38 H new ATOM 0 HB3 GLN A 132 -1.869 -17.262 -6.959 1.00 1.38 H new ATOM 0 HG2 GLN A 132 0.746 -16.407 -8.240 1.00 2.21 H new ATOM 0 HG3 GLN A 132 0.353 -16.393 -6.532 1.00 2.21 H new ATOM 0 HE21 GLN A 132 2.228 -17.969 -8.655 1.00 3.74 H new ATOM 0 HE22 GLN A 132 2.197 -19.600 -7.977 1.00 3.74 H new ATOM 1963 N ARG A 133 -4.015 -16.845 -8.951 1.00 1.29 N ATOM 1964 CA ARG A 133 -5.253 -16.197 -9.364 1.00 1.24 C ATOM 1965 C ARG A 133 -5.376 -14.825 -8.686 1.00 0.92 C ATOM 1966 O ARG A 133 -5.196 -14.749 -7.470 1.00 0.92 O ATOM 1967 CB ARG A 133 -6.437 -17.110 -8.999 1.00 1.56 C ATOM 1968 CG ARG A 133 -7.137 -17.607 -10.266 1.00 1.95 C ATOM 1969 CD ARG A 133 -8.058 -18.799 -9.977 1.00 2.70 C ATOM 1970 NE ARG A 133 -7.299 -20.047 -9.795 1.00 3.72 N ATOM 1971 CZ ARG A 133 -6.676 -20.731 -10.769 1.00 4.57 C ATOM 1972 NH1 ARG A 133 -6.810 -20.375 -12.047 1.00 4.49 N ATOM 1973 NH2 ARG A 133 -5.886 -21.743 -10.429 1.00 6.17 N ATOM 0 H ARG A 133 -4.052 -17.196 -7.994 1.00 1.29 H new ATOM 0 HA ARG A 133 -5.253 -16.035 -10.442 1.00 1.24 H new ATOM 0 HB2 ARG A 133 -6.083 -17.959 -8.414 1.00 1.56 H new ATOM 0 HB3 ARG A 133 -7.145 -16.566 -8.374 1.00 1.56 H new ATOM 0 HG2 ARG A 133 -7.719 -16.795 -10.702 1.00 1.95 H new ATOM 0 HG3 ARG A 133 -6.390 -17.896 -11.005 1.00 1.95 H new ATOM 0 HD2 ARG A 133 -8.644 -18.596 -9.080 1.00 2.70 H new ATOM 0 HD3 ARG A 133 -8.764 -18.920 -10.799 1.00 2.70 H new ATOM 0 HE ARG A 133 -7.241 -20.424 -8.849 1.00 3.72 H new ATOM 0 HH11 ARG A 133 -7.391 -19.574 -12.295 1.00 4.49 H new ATOM 0 HH12 ARG A 133 -6.331 -20.903 -12.776 1.00 4.49 H new ATOM 0 HH21 ARG A 133 -5.763 -21.986 -9.446 1.00 6.17 H new ATOM 0 HH22 ARG A 133 -5.402 -22.277 -11.151 1.00 6.17 H new ATOM 1987 N PRO A 134 -5.668 -13.744 -9.430 1.00 0.80 N ATOM 1988 CA PRO A 134 -5.950 -12.448 -8.845 1.00 0.65 C ATOM 1989 C PRO A 134 -7.332 -12.440 -8.185 1.00 0.62 C ATOM 1990 O PRO A 134 -7.480 -11.874 -7.108 1.00 0.75 O ATOM 1991 CB PRO A 134 -5.865 -11.446 -9.997 1.00 0.77 C ATOM 1992 CG PRO A 134 -6.238 -12.274 -11.228 1.00 0.95 C ATOM 1993 CD PRO A 134 -5.731 -13.676 -10.883 1.00 1.00 C ATOM 0 HA PRO A 134 -5.242 -12.194 -8.056 1.00 0.65 H new ATOM 0 HB2 PRO A 134 -6.551 -10.612 -9.853 1.00 0.77 H new ATOM 0 HB3 PRO A 134 -4.864 -11.024 -10.087 1.00 0.77 H new ATOM 0 HG2 PRO A 134 -7.314 -12.268 -11.405 1.00 0.95 H new ATOM 0 HG3 PRO A 134 -5.765 -11.887 -12.130 1.00 0.95 H new ATOM 0 HD2 PRO A 134 -6.401 -14.440 -11.279 1.00 1.00 H new ATOM 0 HD3 PRO A 134 -4.750 -13.853 -11.323 1.00 1.00 H new ATOM 2001 N TYR A 135 -8.334 -13.051 -8.817 1.00 0.72 N ATOM 2002 CA TYR A 135 -9.688 -13.221 -8.314 1.00 0.75 C ATOM 2003 C TYR A 135 -10.283 -14.456 -8.991 1.00 0.92 C ATOM 2004 O TYR A 135 -9.448 -15.254 -9.475 1.00 1.69 O ATOM 2005 CB TYR A 135 -10.543 -11.947 -8.474 1.00 0.67 C ATOM 2006 CG TYR A 135 -10.400 -11.054 -9.696 1.00 0.54 C ATOM 2007 CD1 TYR A 135 -10.065 -11.534 -10.977 1.00 1.73 C ATOM 2008 CD2 TYR A 135 -10.737 -9.700 -9.540 1.00 1.84 C ATOM 2009 CE1 TYR A 135 -9.973 -10.634 -12.060 1.00 1.70 C ATOM 2010 CE2 TYR A 135 -10.655 -8.809 -10.617 1.00 2.10 C ATOM 2011 CZ TYR A 135 -10.233 -9.265 -11.869 1.00 1.18 C ATOM 2012 OH TYR A 135 -10.078 -8.354 -12.868 1.00 1.70 O ATOM 2013 OXT TYR A 135 -11.366 -14.889 -8.543 1.00 1.81 O ATOM 0 H TYR A 135 -8.211 -13.461 -9.743 1.00 0.72 H new ATOM 0 HA TYR A 135 -9.673 -13.384 -7.236 1.00 0.75 H new ATOM 0 HB2 TYR A 135 -11.587 -12.256 -8.425 1.00 0.67 H new ATOM 0 HB3 TYR A 135 -10.354 -11.324 -7.600 1.00 0.67 H new ATOM 0 HD1 TYR A 135 -9.879 -12.587 -11.130 1.00 1.73 H new ATOM 0 HD2 TYR A 135 -11.064 -9.341 -8.576 1.00 1.84 H new ATOM 0 HE1 TYR A 135 -9.702 -10.998 -13.040 1.00 1.70 H new ATOM 0 HE2 TYR A 135 -10.918 -7.770 -10.480 1.00 2.10 H new ATOM 0 HH TYR A 135 -10.216 -8.792 -13.734 1.00 1.70 H new TER 2023 TYR A 135