USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1051 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 120 GLN :FLIP amide:sc= 0.0504 F(o=-5.9!,f=0.05) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00946) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.12 K(o=-1.3,f=-3.4!) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.195 K(o=-1.3,f=-3.2) USER MOD Set 3.1: A 10 SER OG : rot -90:sc= 0.306 USER MOD Set 3.2: A 105 LYS NZ :NH3+ 160:sc= 0.528 (180deg=0) USER MOD Set 4.1: A 92 SER OG : rot 166:sc= -0.998 USER MOD Set 4.2: A 95 HIS : no HD1:sc= -12.1! C(o=-13!,f=-17!) USER MOD Set 5.1: A 69 SER OG : rot -124:sc= -2.76! USER MOD Set 5.2: A 70 GLN : amide:sc= 0.707 K(o=-2.1,f=-5.6) USER MOD Set 6.1: A 36 GLN :FLIP amide:sc= -2.14 F(o=-5.8!,f=-2.4) USER MOD Set 6.2: A 54 THR OG1 : rot -163:sc= -0.246 USER MOD Set 7.1: A 38 GLN : amide:sc= -1.82 K(o=-6.4,f=-7) USER MOD Set 7.2: A 50 LYS NZ :NH3+ -166:sc= -4.62! (180deg=-3.12!) USER MOD Single : A 1 TYR N :NH3+ 142:sc= -1.63 (180deg=-2.99!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0591) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 167:sc= -4.29! USER MOD Single : A 11 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot -64:sc= -0.588 USER MOD Single : A 27 THR OG1 : rot 11:sc= -0.295 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.284 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -140:sc= -0.412 USER MOD Single : A 51 SER OG : rot -11:sc= -1.22 USER MOD Single : A 52 THR OG1 : rot 80:sc= -1.54! USER MOD Single : A 56 GLN :FLIP amide:sc= -11.1! C(o=-15!,f=-11!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -107:sc= -8.99! (180deg=-12.7!) USER MOD Single : A 62 THR OG1 : rot -64:sc= 0.833 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 76 CYS SG : rot 175:sc= 0.931 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.21) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -2.21 (180deg=-2.57!) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.0827 (180deg=-0.793) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.761 X(o=-0.76,f=-0.43) USER MOD Single : A 106 LYS NZ :NH3+ -146:sc= -11.8! (180deg=-15.6!) USER MOD Single : A 109 SER OG : rot 180:sc= -0.224 USER MOD Single : A 110 CYS SG : rot -81:sc= -10.7! USER MOD Single : A 111 LYS NZ :NH3+ 156:sc= -0.262 (180deg=-1.15) USER MOD Single : A 116 THR OG1 : rot -126:sc= 0.529 USER MOD Single : A 117 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.8) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 49:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.797 -6.071 6.258 1.00 2.41 N ATOM 2 CA TYR A 1 18.549 -5.030 7.001 1.00 2.09 C ATOM 3 C TYR A 1 17.646 -4.318 8.000 1.00 2.03 C ATOM 4 O TYR A 1 17.830 -4.430 9.213 1.00 2.57 O ATOM 5 CB TYR A 1 19.140 -4.010 6.025 1.00 2.90 C ATOM 6 CG TYR A 1 20.095 -3.037 6.680 1.00 3.87 C ATOM 7 CD1 TYR A 1 21.401 -3.410 6.974 1.00 4.39 C ATOM 8 CD2 TYR A 1 19.692 -1.748 7.006 1.00 4.74 C ATOM 9 CE1 TYR A 1 22.277 -2.528 7.575 1.00 5.57 C ATOM 10 CE2 TYR A 1 20.564 -0.859 7.608 1.00 5.86 C ATOM 11 CZ TYR A 1 21.855 -1.254 7.890 1.00 6.21 C ATOM 12 OH TYR A 1 22.726 -0.374 8.490 1.00 7.47 O ATOM 0 H1 TYR A 1 18.114 -6.088 5.268 1.00 2.41 H new ATOM 0 H2 TYR A 1 17.969 -7.000 6.693 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.780 -5.856 6.292 1.00 2.41 H new ATOM 0 HA TYR A 1 19.356 -5.519 7.547 1.00 2.09 H new ATOM 0 HB2 TYR A 1 19.662 -4.540 5.229 1.00 2.90 H new ATOM 0 HB3 TYR A 1 18.328 -3.452 5.558 1.00 2.90 H new ATOM 0 HD1 TYR A 1 21.736 -4.407 6.728 1.00 4.39 H new ATOM 0 HD2 TYR A 1 18.682 -1.435 6.786 1.00 4.74 H new ATOM 0 HE1 TYR A 1 23.288 -2.835 7.797 1.00 5.57 H new ATOM 0 HE2 TYR A 1 20.236 0.140 7.856 1.00 5.86 H new ATOM 0 HH TYR A 1 22.273 0.481 8.644 1.00 7.47 H new ATOM 24 N LYS A 2 16.668 -3.586 7.479 1.00 2.03 N ATOM 25 CA LYS A 2 15.730 -2.852 8.316 1.00 2.09 C ATOM 26 C LYS A 2 14.362 -3.518 8.295 1.00 1.28 C ATOM 27 O LYS A 2 14.107 -4.407 7.482 1.00 1.83 O ATOM 28 CB LYS A 2 15.604 -1.405 7.835 1.00 3.32 C ATOM 29 CG LYS A 2 15.914 -0.372 8.905 1.00 4.26 C ATOM 30 CD LYS A 2 17.408 -0.274 9.166 1.00 5.27 C ATOM 31 CE LYS A 2 17.724 0.801 10.192 1.00 6.31 C ATOM 32 NZ LYS A 2 17.361 0.378 11.573 1.00 6.96 N ATOM 0 H LYS A 2 16.505 -3.486 6.477 1.00 2.03 H new ATOM 0 HA LYS A 2 16.111 -2.856 9.337 1.00 2.09 H new ATOM 0 HB2 LYS A 2 16.277 -1.253 6.991 1.00 3.32 H new ATOM 0 HB3 LYS A 2 14.591 -1.241 7.468 1.00 3.32 H new ATOM 0 HG2 LYS A 2 15.533 0.601 8.595 1.00 4.26 H new ATOM 0 HG3 LYS A 2 15.399 -0.637 9.828 1.00 4.26 H new ATOM 0 HD2 LYS A 2 17.781 -1.236 9.518 1.00 5.27 H new ATOM 0 HD3 LYS A 2 17.928 -0.053 8.234 1.00 5.27 H new ATOM 0 HE2 LYS A 2 18.787 1.038 10.153 1.00 6.31 H new ATOM 0 HE3 LYS A 2 17.185 1.714 9.939 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 17.593 1.140 12.242 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 16.342 0.176 11.618 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 17.895 -0.478 11.825 1.00 6.96 H new ATOM 46 N LYS A 3 13.484 -3.087 9.190 1.00 0.93 N ATOM 47 CA LYS A 3 12.139 -3.637 9.255 1.00 0.96 C ATOM 48 C LYS A 3 11.246 -3.091 8.138 1.00 0.78 C ATOM 49 O LYS A 3 10.479 -3.855 7.551 1.00 1.17 O ATOM 50 CB LYS A 3 11.499 -3.358 10.611 1.00 1.91 C ATOM 51 CG LYS A 3 12.086 -4.184 11.747 1.00 2.62 C ATOM 52 CD LYS A 3 11.742 -5.659 11.603 1.00 3.43 C ATOM 53 CE LYS A 3 12.554 -6.519 12.560 1.00 4.25 C ATOM 54 NZ LYS A 3 12.391 -6.087 13.976 1.00 4.81 N ATOM 0 H LYS A 3 13.679 -2.360 9.879 1.00 0.93 H new ATOM 0 HA LYS A 3 12.231 -4.715 9.120 1.00 0.96 H new ATOM 0 HB2 LYS A 3 11.614 -2.300 10.846 1.00 1.91 H new ATOM 0 HB3 LYS A 3 10.429 -3.556 10.545 1.00 1.91 H new ATOM 0 HG2 LYS A 3 13.169 -4.062 11.764 1.00 2.62 H new ATOM 0 HG3 LYS A 3 11.709 -3.813 12.700 1.00 2.62 H new ATOM 0 HD2 LYS A 3 10.679 -5.806 11.794 1.00 3.43 H new ATOM 0 HD3 LYS A 3 11.929 -5.978 10.578 1.00 3.43 H new ATOM 0 HE2 LYS A 3 12.247 -7.560 12.461 1.00 4.25 H new ATOM 0 HE3 LYS A 3 13.608 -6.470 12.285 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 12.789 -6.811 14.608 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 12.889 -5.186 14.124 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 11.380 -5.962 14.187 1.00 4.81 H new ATOM 68 N PRO A 4 11.312 -1.766 7.833 1.00 0.45 N ATOM 69 CA PRO A 4 10.512 -1.154 6.777 1.00 0.41 C ATOM 70 C PRO A 4 10.141 -2.141 5.674 1.00 0.39 C ATOM 71 O PRO A 4 11.009 -2.659 4.973 1.00 0.53 O ATOM 72 CB PRO A 4 11.464 -0.080 6.254 1.00 0.59 C ATOM 73 CG PRO A 4 12.228 0.371 7.462 1.00 0.72 C ATOM 74 CD PRO A 4 12.156 -0.745 8.485 1.00 0.80 C ATOM 0 HA PRO A 4 9.552 -0.778 7.130 1.00 0.41 H new ATOM 0 HB2 PRO A 4 12.131 -0.480 5.490 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.918 0.746 5.800 1.00 0.59 H new ATOM 0 HG2 PRO A 4 13.264 0.588 7.202 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.802 1.290 7.865 1.00 0.72 H new ATOM 0 HD2 PRO A 4 13.146 -1.136 8.721 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.717 -0.402 9.422 1.00 0.80 H new ATOM 82 N LYS A 5 8.844 -2.395 5.527 1.00 0.38 N ATOM 83 CA LYS A 5 8.354 -3.327 4.522 1.00 0.38 C ATOM 84 C LYS A 5 8.304 -2.683 3.141 1.00 0.35 C ATOM 85 O LYS A 5 8.456 -1.472 2.991 1.00 0.40 O ATOM 86 CB LYS A 5 6.960 -3.841 4.898 1.00 0.44 C ATOM 87 CG LYS A 5 6.928 -4.655 6.183 1.00 1.16 C ATOM 88 CD LYS A 5 6.975 -3.764 7.416 1.00 1.64 C ATOM 89 CE LYS A 5 7.100 -4.582 8.690 1.00 2.57 C ATOM 90 NZ LYS A 5 7.276 -3.715 9.889 1.00 3.33 N ATOM 0 H LYS A 5 8.113 -1.966 6.094 1.00 0.38 H new ATOM 0 HA LYS A 5 9.051 -4.164 4.488 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.286 -2.991 5.001 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.577 -4.454 4.082 1.00 0.44 H new ATOM 0 HG2 LYS A 5 6.023 -5.262 6.207 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.773 -5.343 6.199 1.00 1.16 H new ATOM 0 HD2 LYS A 5 7.819 -3.078 7.339 1.00 1.64 H new ATOM 0 HD3 LYS A 5 6.072 -3.155 7.461 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.210 -5.199 8.815 1.00 2.57 H new ATOM 0 HE3 LYS A 5 7.949 -5.261 8.604 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 7.358 -4.310 10.738 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 8.139 -3.145 9.781 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 6.454 -3.085 9.985 1.00 3.33 H new ATOM 104 N LEU A 6 8.110 -3.521 2.135 1.00 0.35 N ATOM 105 CA LEU A 6 8.025 -3.077 0.751 1.00 0.37 C ATOM 106 C LEU A 6 6.653 -3.449 0.165 1.00 0.37 C ATOM 107 O LEU A 6 6.190 -4.578 0.331 1.00 0.46 O ATOM 108 CB LEU A 6 9.172 -3.722 -0.046 1.00 0.51 C ATOM 109 CG LEU A 6 8.944 -3.940 -1.541 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.275 -3.933 -2.271 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.220 -5.257 -1.796 1.00 1.49 C ATOM 0 H LEU A 6 8.007 -4.529 2.254 1.00 0.35 H new ATOM 0 HA LEU A 6 8.124 -1.993 0.693 1.00 0.37 H new ATOM 0 HB2 LEU A 6 10.059 -3.100 0.074 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.397 -4.688 0.406 1.00 0.51 H new ATOM 0 HG LEU A 6 8.320 -3.128 -1.915 1.00 0.64 H new ATOM 0 HD11 LEU A 6 10.106 -4.089 -3.337 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.769 -2.973 -2.118 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.907 -4.732 -1.883 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.070 -5.388 -2.868 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.819 -6.082 -1.410 1.00 1.49 H new ATOM 0 HD23 LEU A 6 7.253 -5.244 -1.293 1.00 1.49 H new ATOM 123 N LEU A 7 6.006 -2.498 -0.506 1.00 0.36 N ATOM 124 CA LEU A 7 4.686 -2.732 -1.106 1.00 0.39 C ATOM 125 C LEU A 7 4.741 -3.138 -2.565 1.00 0.41 C ATOM 126 O LEU A 7 4.794 -2.278 -3.445 1.00 0.58 O ATOM 127 CB LEU A 7 3.806 -1.479 -1.070 1.00 0.55 C ATOM 128 CG LEU A 7 2.472 -1.636 -1.833 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.304 -1.523 -0.870 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.351 -0.616 -2.968 1.00 1.25 C ATOM 0 H LEU A 7 6.371 -1.557 -0.650 1.00 0.36 H new ATOM 0 HA LEU A 7 4.275 -3.540 -0.501 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.593 -1.225 -0.032 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.362 -0.643 -1.495 1.00 0.55 H new ATOM 0 HG LEU A 7 2.454 -2.626 -2.288 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.368 -1.635 -1.418 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.378 -2.305 -0.115 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.326 -0.547 -0.385 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.401 -0.756 -3.483 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.396 0.393 -2.557 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.170 -0.758 -3.673 1.00 1.25 H new ATOM 142 N TYR A 8 4.741 -4.425 -2.843 1.00 0.50 N ATOM 143 CA TYR A 8 4.668 -4.831 -4.233 1.00 0.71 C ATOM 144 C TYR A 8 3.312 -5.511 -4.488 1.00 0.44 C ATOM 145 O TYR A 8 3.143 -6.696 -4.192 1.00 0.73 O ATOM 146 CB TYR A 8 5.872 -5.753 -4.535 1.00 1.29 C ATOM 147 CG TYR A 8 5.568 -7.073 -5.219 1.00 1.60 C ATOM 148 CD1 TYR A 8 5.133 -7.123 -6.534 1.00 1.84 C ATOM 149 CD2 TYR A 8 5.736 -8.274 -4.541 1.00 2.21 C ATOM 150 CE1 TYR A 8 4.869 -8.329 -7.156 1.00 2.43 C ATOM 151 CE2 TYR A 8 5.475 -9.484 -5.153 1.00 2.93 C ATOM 152 CZ TYR A 8 5.041 -9.505 -6.461 1.00 2.96 C ATOM 153 OH TYR A 8 4.781 -10.709 -7.076 1.00 3.74 O ATOM 0 H TYR A 8 4.788 -5.180 -2.159 1.00 0.50 H new ATOM 0 HA TYR A 8 4.727 -3.976 -4.907 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.575 -5.201 -5.159 1.00 1.29 H new ATOM 0 HB3 TYR A 8 6.381 -5.967 -3.595 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.998 -6.203 -7.083 1.00 1.84 H new ATOM 0 HD2 TYR A 8 6.077 -8.261 -3.516 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.530 -8.349 -8.181 1.00 2.43 H new ATOM 0 HE2 TYR A 8 5.610 -10.408 -4.610 1.00 2.93 H new ATOM 0 HH TYR A 8 4.953 -11.441 -6.448 1.00 3.74 H new ATOM 163 N CYS A 9 2.300 -4.751 -4.974 1.00 0.63 N ATOM 164 CA CYS A 9 1.024 -5.399 -5.272 1.00 0.75 C ATOM 165 C CYS A 9 0.463 -5.118 -6.675 1.00 1.05 C ATOM 166 O CYS A 9 -0.476 -4.341 -6.847 1.00 1.99 O ATOM 167 CB CYS A 9 0.022 -4.875 -4.256 1.00 1.57 C ATOM 168 SG CYS A 9 0.768 -4.477 -2.659 1.00 2.64 S ATOM 0 H CYS A 9 2.345 -3.748 -5.156 1.00 0.63 H new ATOM 0 HA CYS A 9 1.192 -6.475 -5.227 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.459 -3.983 -4.657 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.760 -5.620 -4.109 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.070 -3.781 -1.950 1.00 2.64 H new ATOM 174 N SER A 10 1.056 -5.758 -7.652 1.00 0.83 N ATOM 175 CA SER A 10 0.583 -5.802 -9.039 1.00 1.29 C ATOM 176 C SER A 10 0.998 -7.153 -9.582 1.00 0.84 C ATOM 177 O SER A 10 2.014 -7.662 -9.104 1.00 1.34 O ATOM 178 CB SER A 10 1.137 -4.670 -9.902 1.00 2.36 C ATOM 179 OG SER A 10 0.408 -4.554 -11.112 1.00 3.16 O ATOM 0 H SER A 10 1.916 -6.288 -7.511 1.00 0.83 H new ATOM 0 HA SER A 10 -0.498 -5.665 -9.064 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.088 -3.730 -9.352 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.188 -4.856 -10.122 1.00 2.36 H new ATOM 0 HG SER A 10 0.821 -5.119 -11.798 1.00 3.16 H new ATOM 185 N ASN A 11 0.324 -7.792 -10.529 1.00 1.45 N ATOM 186 CA ASN A 11 0.962 -9.012 -10.992 1.00 1.79 C ATOM 187 C ASN A 11 1.941 -8.595 -12.089 1.00 1.40 C ATOM 188 O ASN A 11 1.595 -8.517 -13.267 1.00 1.83 O ATOM 189 CB ASN A 11 -0.066 -10.009 -11.533 1.00 2.89 C ATOM 190 CG ASN A 11 0.543 -11.369 -11.819 1.00 3.45 C ATOM 191 OD1 ASN A 11 1.718 -11.476 -12.170 1.00 3.71 O ATOM 192 ND2 ASN A 11 -0.256 -12.418 -11.665 1.00 4.02 N ATOM 0 H ASN A 11 -0.565 -7.526 -10.952 1.00 1.45 H new ATOM 0 HA ASN A 11 1.474 -9.515 -10.172 1.00 1.79 H new ATOM 0 HB2 ASN A 11 -0.875 -10.121 -10.811 1.00 2.89 H new ATOM 0 HB3 ASN A 11 -0.507 -9.612 -12.447 1.00 2.89 H new ATOM 0 HD21 ASN A 11 0.098 -13.359 -11.839 1.00 4.02 H new ATOM 0 HD22 ASN A 11 -1.224 -12.283 -11.372 1.00 4.02 H new ATOM 199 N GLY A 12 3.172 -8.329 -11.656 1.00 1.41 N ATOM 200 CA GLY A 12 4.252 -7.933 -12.547 1.00 1.36 C ATOM 201 C GLY A 12 5.601 -8.120 -11.881 1.00 1.49 C ATOM 202 O GLY A 12 6.310 -9.107 -12.074 1.00 2.34 O ATOM 0 H GLY A 12 3.445 -8.383 -10.675 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.209 -8.524 -13.462 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.126 -6.889 -12.836 1.00 1.36 H new ATOM 206 N GLY A 13 5.907 -7.094 -11.077 1.00 0.97 N ATOM 207 CA GLY A 13 7.117 -6.995 -10.277 1.00 1.26 C ATOM 208 C GLY A 13 7.646 -5.562 -10.255 1.00 0.84 C ATOM 209 O GLY A 13 8.636 -5.230 -10.906 1.00 0.89 O ATOM 0 H GLY A 13 5.293 -6.287 -10.967 1.00 0.97 H new ATOM 0 HA2 GLY A 13 6.912 -7.326 -9.259 1.00 1.26 H new ATOM 0 HA3 GLY A 13 7.879 -7.661 -10.681 1.00 1.26 H new ATOM 213 N HIS A 14 6.950 -4.734 -9.479 1.00 0.78 N ATOM 214 CA HIS A 14 7.264 -3.327 -9.261 1.00 0.61 C ATOM 215 C HIS A 14 7.128 -3.019 -7.770 1.00 0.61 C ATOM 216 O HIS A 14 6.671 -3.869 -7.005 1.00 0.92 O ATOM 217 CB HIS A 14 6.381 -2.409 -10.113 1.00 0.85 C ATOM 218 CG HIS A 14 6.847 -2.272 -11.531 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.145 -3.352 -12.336 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.067 -1.170 -12.289 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.527 -2.921 -13.525 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.487 -1.602 -13.523 1.00 0.95 N ATOM 0 H HIS A 14 6.122 -5.037 -8.967 1.00 0.78 H new ATOM 0 HA HIS A 14 8.290 -3.135 -9.575 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.362 -2.795 -10.110 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.349 -1.421 -9.653 1.00 0.85 H new ATOM 0 HD2 HIS A 14 6.936 -0.143 -11.980 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.822 -3.543 -14.357 1.00 1.17 H new ATOM 0 HE2 HIS A 14 7.729 -1.001 -14.311 1.00 0.95 H new ATOM 231 N PHE A 15 7.534 -1.832 -7.343 1.00 0.49 N ATOM 232 CA PHE A 15 7.425 -1.461 -5.944 1.00 0.45 C ATOM 233 C PHE A 15 7.109 0.019 -5.822 1.00 0.39 C ATOM 234 O PHE A 15 7.749 0.834 -6.469 1.00 0.41 O ATOM 235 CB PHE A 15 8.715 -1.792 -5.197 1.00 0.51 C ATOM 236 CG PHE A 15 8.735 -1.297 -3.778 1.00 0.83 C ATOM 237 CD1 PHE A 15 7.562 -1.072 -3.101 1.00 1.13 C ATOM 238 CD2 PHE A 15 9.928 -1.066 -3.115 1.00 1.15 C ATOM 239 CE1 PHE A 15 7.585 -0.619 -1.802 1.00 1.61 C ATOM 240 CE2 PHE A 15 9.947 -0.630 -1.816 1.00 1.62 C ATOM 241 CZ PHE A 15 8.767 -0.372 -1.168 1.00 1.82 C ATOM 0 H PHE A 15 7.940 -1.114 -7.943 1.00 0.49 H new ATOM 0 HA PHE A 15 6.614 -2.034 -5.495 1.00 0.45 H new ATOM 0 HB2 PHE A 15 8.858 -2.873 -5.198 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.558 -1.359 -5.736 1.00 0.51 H new ATOM 0 HD1 PHE A 15 6.616 -1.252 -3.591 1.00 1.13 H new ATOM 0 HD2 PHE A 15 10.862 -1.233 -3.631 1.00 1.15 H new ATOM 0 HE1 PHE A 15 6.655 -0.457 -1.278 1.00 1.61 H new ATOM 0 HE2 PHE A 15 10.888 -0.490 -1.305 1.00 1.62 H new ATOM 0 HZ PHE A 15 8.773 0.024 -0.163 1.00 1.82 H new ATOM 251 N LEU A 16 6.238 0.383 -4.883 1.00 0.43 N ATOM 252 CA LEU A 16 5.850 1.764 -4.737 1.00 0.50 C ATOM 253 C LEU A 16 6.941 2.521 -4.033 1.00 0.48 C ATOM 254 O LEU A 16 7.578 2.055 -3.088 1.00 0.64 O ATOM 255 CB LEU A 16 4.566 1.901 -3.906 1.00 0.75 C ATOM 256 CG LEU A 16 4.767 2.548 -2.518 1.00 1.35 C ATOM 257 CD1 LEU A 16 4.804 4.067 -2.613 1.00 2.23 C ATOM 258 CD2 LEU A 16 3.694 2.096 -1.539 1.00 1.59 C ATOM 0 H LEU A 16 5.798 -0.259 -4.224 1.00 0.43 H new ATOM 0 HA LEU A 16 5.675 2.165 -5.735 1.00 0.50 H new ATOM 0 HB2 LEU A 16 3.846 2.495 -4.469 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.128 0.912 -3.772 1.00 0.75 H new ATOM 0 HG LEU A 16 5.733 2.213 -2.140 1.00 1.35 H new ATOM 0 HD11 LEU A 16 4.947 4.490 -1.619 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.628 4.371 -3.259 1.00 2.23 H new ATOM 0 HD13 LEU A 16 3.864 4.428 -3.030 1.00 2.23 H new ATOM 0 HD21 LEU A 16 3.862 2.568 -0.571 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.713 2.383 -1.917 1.00 1.59 H new ATOM 0 HD23 LEU A 16 3.737 1.013 -1.427 1.00 1.59 H new ATOM 270 N ARG A 17 7.146 3.694 -4.558 1.00 0.40 N ATOM 271 CA ARG A 17 8.165 4.593 -4.084 1.00 0.42 C ATOM 272 C ARG A 17 7.564 5.968 -3.896 1.00 0.35 C ATOM 273 O ARG A 17 6.576 6.316 -4.562 1.00 0.37 O ATOM 274 CB ARG A 17 9.348 4.611 -5.058 1.00 0.59 C ATOM 275 CG ARG A 17 9.359 5.787 -6.016 1.00 1.00 C ATOM 276 CD ARG A 17 10.066 5.431 -7.314 1.00 1.17 C ATOM 277 NE ARG A 17 10.128 6.566 -8.230 1.00 1.46 N ATOM 278 CZ ARG A 17 9.597 6.563 -9.449 1.00 1.93 C ATOM 279 NH1 ARG A 17 8.954 5.493 -9.894 1.00 2.43 N ATOM 280 NH2 ARG A 17 9.706 7.635 -10.222 1.00 2.61 N ATOM 0 H ARG A 17 6.603 4.061 -5.340 1.00 0.40 H new ATOM 0 HA ARG A 17 8.547 4.254 -3.121 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.274 4.618 -4.484 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.339 3.688 -5.637 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.336 6.096 -6.229 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.857 6.636 -5.548 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.076 5.087 -7.094 1.00 1.17 H new ATOM 0 HD3 ARG A 17 9.545 4.604 -7.796 1.00 1.17 H new ATOM 0 HE ARG A 17 10.607 7.411 -7.917 1.00 1.46 H new ATOM 0 HH11 ARG A 17 8.865 4.668 -9.301 1.00 2.43 H new ATOM 0 HH12 ARG A 17 8.548 5.494 -10.830 1.00 2.43 H new ATOM 0 HH21 ARG A 17 10.197 8.462 -9.881 1.00 2.61 H new ATOM 0 HH22 ARG A 17 9.299 7.633 -11.157 1.00 2.61 H new ATOM 294 N ILE A 18 8.129 6.736 -2.982 1.00 0.33 N ATOM 295 CA ILE A 18 7.632 8.076 -2.736 1.00 0.31 C ATOM 296 C ILE A 18 8.403 9.125 -3.534 1.00 0.32 C ATOM 297 O ILE A 18 9.619 9.040 -3.706 1.00 0.36 O ATOM 298 CB ILE A 18 7.712 8.441 -1.250 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.166 8.479 -0.777 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.904 7.458 -0.419 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.376 9.333 0.454 1.00 0.91 C ATOM 0 H ILE A 18 8.923 6.459 -2.404 1.00 0.33 H new ATOM 0 HA ILE A 18 6.590 8.075 -3.057 1.00 0.31 H new ATOM 0 HB ILE A 18 7.288 9.436 -1.118 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.498 7.463 -0.566 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.793 8.858 -1.584 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.971 7.731 0.634 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.861 7.485 -0.735 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.300 6.452 -0.559 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.429 9.315 0.734 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.075 10.359 0.241 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.775 8.942 1.275 1.00 0.91 H new ATOM 313 N LEU A 19 7.660 10.108 -4.025 1.00 0.36 N ATOM 314 CA LEU A 19 8.216 11.205 -4.805 1.00 0.42 C ATOM 315 C LEU A 19 7.726 12.538 -4.243 1.00 0.41 C ATOM 316 O LEU A 19 6.715 12.583 -3.552 1.00 0.43 O ATOM 317 CB LEU A 19 7.837 11.074 -6.286 1.00 0.54 C ATOM 318 CG LEU A 19 6.398 10.638 -6.566 1.00 0.96 C ATOM 319 CD1 LEU A 19 5.969 11.091 -7.953 1.00 1.56 C ATOM 320 CD2 LEU A 19 6.267 9.128 -6.440 1.00 1.84 C ATOM 0 H LEU A 19 6.650 10.167 -3.893 1.00 0.36 H new ATOM 0 HA LEU A 19 9.303 11.166 -4.734 1.00 0.42 H new ATOM 0 HB2 LEU A 19 8.007 12.035 -6.772 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.512 10.357 -6.753 1.00 0.54 H new ATOM 0 HG LEU A 19 5.745 11.106 -5.829 1.00 0.96 H new ATOM 0 HD11 LEU A 19 4.943 10.774 -8.138 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.030 12.177 -8.016 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.627 10.647 -8.700 1.00 1.56 H new ATOM 0 HD21 LEU A 19 5.237 8.834 -6.642 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.930 8.644 -7.157 1.00 1.84 H new ATOM 0 HD23 LEU A 19 6.540 8.822 -5.430 1.00 1.84 H new ATOM 332 N PRO A 20 8.402 13.655 -4.556 1.00 0.54 N ATOM 333 CA PRO A 20 8.020 14.972 -4.026 1.00 0.67 C ATOM 334 C PRO A 20 6.728 15.492 -4.636 1.00 0.68 C ATOM 335 O PRO A 20 6.407 16.677 -4.532 1.00 0.84 O ATOM 336 CB PRO A 20 9.164 15.880 -4.471 1.00 0.89 C ATOM 337 CG PRO A 20 10.270 14.964 -4.874 1.00 0.96 C ATOM 338 CD PRO A 20 9.599 13.735 -5.403 1.00 0.70 C ATOM 0 HA PRO A 20 7.857 14.930 -2.949 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.859 16.516 -5.302 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.477 16.541 -3.663 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.903 15.423 -5.633 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.912 14.726 -4.025 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.346 13.830 -6.459 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.229 12.851 -5.304 1.00 0.70 H new ATOM 346 N ASP A 21 5.995 14.593 -5.269 1.00 0.62 N ATOM 347 CA ASP A 21 4.717 14.932 -5.881 1.00 0.78 C ATOM 348 C ASP A 21 3.566 14.449 -5.002 1.00 0.75 C ATOM 349 O ASP A 21 2.424 14.881 -5.158 1.00 0.99 O ATOM 350 CB ASP A 21 4.605 14.310 -7.274 1.00 0.94 C ATOM 351 CG ASP A 21 3.293 14.649 -7.956 1.00 1.51 C ATOM 352 OD1 ASP A 21 2.309 13.906 -7.753 1.00 2.30 O ATOM 353 OD2 ASP A 21 3.250 15.658 -8.689 1.00 1.71 O ATOM 0 H ASP A 21 6.264 13.615 -5.374 1.00 0.62 H new ATOM 0 HA ASP A 21 4.660 16.016 -5.978 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.433 14.658 -7.892 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.700 13.227 -7.194 1.00 0.94 H new ATOM 358 N GLY A 22 3.883 13.547 -4.072 1.00 0.59 N ATOM 359 CA GLY A 22 2.874 13.013 -3.175 1.00 0.72 C ATOM 360 C GLY A 22 2.185 11.790 -3.746 1.00 0.61 C ATOM 361 O GLY A 22 1.012 11.553 -3.473 1.00 0.81 O ATOM 0 H GLY A 22 4.823 13.178 -3.926 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.338 12.755 -2.223 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.130 13.783 -2.969 1.00 0.72 H new ATOM 365 N THR A 23 2.916 11.006 -4.533 1.00 0.43 N ATOM 366 CA THR A 23 2.361 9.830 -5.163 1.00 0.39 C ATOM 367 C THR A 23 2.929 8.531 -4.632 1.00 0.40 C ATOM 368 O THR A 23 4.095 8.457 -4.243 1.00 0.46 O ATOM 369 CB THR A 23 2.711 9.834 -6.644 1.00 0.44 C ATOM 370 OG1 THR A 23 2.918 11.175 -7.103 1.00 0.49 O ATOM 371 CG2 THR A 23 1.621 9.173 -7.459 1.00 0.59 C ATOM 0 H THR A 23 3.900 11.172 -4.746 1.00 0.43 H new ATOM 0 HA THR A 23 1.291 9.875 -4.961 1.00 0.39 H new ATOM 0 HB THR A 23 3.632 9.266 -6.774 1.00 0.44 H new ATOM 0 HG1 THR A 23 2.082 11.680 -7.025 1.00 0.49 H new ATOM 0 HG21 THR A 23 1.895 9.189 -8.514 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.497 8.141 -7.132 1.00 0.59 H new ATOM 0 HG23 THR A 23 0.684 9.713 -7.319 1.00 0.59 H new ATOM 379 N VAL A 24 2.092 7.504 -4.620 1.00 0.47 N ATOM 380 CA VAL A 24 2.548 6.177 -4.266 1.00 0.56 C ATOM 381 C VAL A 24 2.501 5.370 -5.553 1.00 0.42 C ATOM 382 O VAL A 24 1.439 4.926 -5.982 1.00 0.50 O ATOM 383 CB VAL A 24 1.637 5.542 -3.193 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.246 6.120 -3.311 1.00 0.97 C ATOM 385 CG2 VAL A 24 1.588 4.024 -3.310 1.00 1.61 C ATOM 0 H VAL A 24 1.100 7.568 -4.850 1.00 0.47 H new ATOM 0 HA VAL A 24 3.551 6.204 -3.841 1.00 0.56 H new ATOM 0 HB VAL A 24 2.055 5.776 -2.214 1.00 0.91 H new ATOM 0 HG11 VAL A 24 -0.399 5.673 -2.554 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.287 7.199 -3.162 1.00 0.97 H new ATOM 0 HG13 VAL A 24 -0.154 5.905 -4.302 1.00 0.97 H new ATOM 0 HG21 VAL A 24 0.936 3.620 -2.536 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.202 3.747 -4.291 1.00 1.61 H new ATOM 0 HG23 VAL A 24 2.592 3.617 -3.187 1.00 1.61 H new ATOM 395 N ASP A 25 3.651 5.208 -6.185 1.00 0.37 N ATOM 396 CA ASP A 25 3.702 4.482 -7.460 1.00 0.37 C ATOM 397 C ASP A 25 4.792 3.446 -7.500 1.00 0.39 C ATOM 398 O ASP A 25 5.887 3.690 -6.999 1.00 0.43 O ATOM 399 CB ASP A 25 3.859 5.463 -8.625 1.00 0.48 C ATOM 400 CG ASP A 25 4.987 6.453 -8.410 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.797 6.237 -7.484 1.00 1.16 O ATOM 402 OD2 ASP A 25 5.062 7.445 -9.165 1.00 1.10 O ATOM 0 H ASP A 25 4.549 5.558 -5.852 1.00 0.37 H new ATOM 0 HA ASP A 25 2.756 3.949 -7.557 1.00 0.37 H new ATOM 0 HB2 ASP A 25 4.042 4.904 -9.543 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.925 6.008 -8.764 1.00 0.48 H new ATOM 407 N GLY A 26 4.530 2.297 -8.131 1.00 0.38 N ATOM 408 CA GLY A 26 5.585 1.312 -8.153 1.00 0.40 C ATOM 409 C GLY A 26 6.446 1.273 -9.400 1.00 0.42 C ATOM 410 O GLY A 26 5.987 1.323 -10.541 1.00 0.52 O ATOM 0 H GLY A 26 3.659 2.047 -8.599 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.234 1.488 -7.295 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.136 0.328 -8.017 1.00 0.40 H new ATOM 414 N THR A 27 7.718 1.179 -9.087 1.00 0.42 N ATOM 415 CA THR A 27 8.844 1.066 -9.989 1.00 0.50 C ATOM 416 C THR A 27 9.858 0.245 -9.236 1.00 0.54 C ATOM 417 O THR A 27 9.874 0.339 -8.007 1.00 0.56 O ATOM 418 CB THR A 27 9.424 2.439 -10.352 1.00 0.57 C ATOM 419 OG1 THR A 27 8.552 3.115 -11.266 1.00 0.67 O ATOM 420 CG2 THR A 27 10.802 2.295 -10.965 1.00 0.70 C ATOM 0 H THR A 27 8.018 1.180 -8.112 1.00 0.42 H new ATOM 0 HA THR A 27 8.553 0.609 -10.935 1.00 0.50 H new ATOM 0 HB THR A 27 9.512 3.027 -9.438 1.00 0.57 H new ATOM 0 HG1 THR A 27 7.703 2.630 -11.327 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.194 3.281 -11.215 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.468 1.809 -10.252 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.736 1.691 -11.870 1.00 0.70 H new ATOM 428 N ARG A 28 10.681 -0.586 -9.863 1.00 0.64 N ATOM 429 CA ARG A 28 11.585 -1.309 -9.004 1.00 0.71 C ATOM 430 C ARG A 28 12.975 -0.737 -9.035 1.00 0.65 C ATOM 431 O ARG A 28 13.725 -0.879 -10.001 1.00 0.72 O ATOM 432 CB ARG A 28 11.631 -2.777 -9.390 1.00 0.91 C ATOM 433 CG ARG A 28 12.610 -3.598 -8.566 1.00 1.56 C ATOM 434 CD ARG A 28 12.693 -5.032 -9.067 1.00 1.84 C ATOM 435 NE ARG A 28 13.699 -5.806 -8.345 1.00 2.32 N ATOM 436 CZ ARG A 28 13.718 -7.136 -8.306 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.784 -7.836 -8.936 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.672 -7.767 -7.634 1.00 3.76 N ATOM 0 H ARG A 28 10.739 -0.762 -10.866 1.00 0.64 H new ATOM 0 HA ARG A 28 11.203 -1.210 -7.988 1.00 0.71 H new ATOM 0 HB2 ARG A 28 10.633 -3.203 -9.282 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.900 -2.858 -10.443 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.598 -3.139 -8.608 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.301 -3.594 -7.521 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.720 -5.511 -8.958 1.00 1.84 H new ATOM 0 HD3 ARG A 28 12.931 -5.031 -10.131 1.00 1.84 H new ATOM 0 HE ARG A 28 14.428 -5.299 -7.843 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.048 -7.355 -9.453 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.802 -8.855 -8.904 1.00 3.18 H new ATOM 0 HH21 ARG A 28 15.391 -7.233 -7.147 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.686 -8.786 -7.604 1.00 3.76 H new ATOM 452 N ASP A 29 13.288 -0.095 -7.934 1.00 0.68 N ATOM 453 CA ASP A 29 14.624 0.433 -7.687 1.00 0.69 C ATOM 454 C ASP A 29 14.952 0.418 -6.198 1.00 0.81 C ATOM 455 O ASP A 29 14.614 1.366 -5.491 1.00 1.48 O ATOM 456 CB ASP A 29 14.721 1.876 -8.175 1.00 1.04 C ATOM 457 CG ASP A 29 14.361 2.034 -9.639 1.00 1.58 C ATOM 458 OD1 ASP A 29 14.975 1.345 -10.480 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.471 2.852 -9.945 1.00 2.20 O ATOM 0 H ASP A 29 12.627 0.080 -7.177 1.00 0.68 H new ATOM 0 HA ASP A 29 15.329 -0.200 -8.226 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.060 2.501 -7.575 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.736 2.240 -8.015 1.00 1.04 H new ATOM 464 N ARG A 30 15.748 -0.528 -5.746 1.00 0.62 N ATOM 465 CA ARG A 30 16.118 -0.547 -4.342 1.00 0.91 C ATOM 466 C ARG A 30 17.390 0.251 -4.182 1.00 1.03 C ATOM 467 O ARG A 30 17.835 0.557 -3.075 1.00 1.18 O ATOM 468 CB ARG A 30 16.244 -1.981 -3.819 1.00 1.63 C ATOM 469 CG ARG A 30 17.186 -2.152 -2.634 1.00 2.20 C ATOM 470 CD ARG A 30 18.616 -2.416 -3.081 1.00 2.58 C ATOM 471 NE ARG A 30 19.550 -2.403 -1.958 1.00 3.27 N ATOM 472 CZ ARG A 30 20.071 -3.503 -1.420 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.740 -4.697 -1.890 1.00 3.96 N ATOM 474 NH2 ARG A 30 20.921 -3.406 -0.407 1.00 4.57 N ATOM 0 H ARG A 30 16.145 -1.278 -6.312 1.00 0.62 H new ATOM 0 HA ARG A 30 15.337 -0.087 -3.736 1.00 0.91 H new ATOM 0 HB2 ARG A 30 15.254 -2.335 -3.532 1.00 1.63 H new ATOM 0 HB3 ARG A 30 16.588 -2.620 -4.633 1.00 1.63 H new ATOM 0 HG2 ARG A 30 17.158 -1.255 -2.016 1.00 2.20 H new ATOM 0 HG3 ARG A 30 16.841 -2.978 -2.012 1.00 2.20 H new ATOM 0 HD2 ARG A 30 18.667 -3.382 -3.584 1.00 2.58 H new ATOM 0 HD3 ARG A 30 18.914 -1.662 -3.809 1.00 2.58 H new ATOM 0 HE ARG A 30 19.818 -1.501 -1.564 1.00 3.27 H new ATOM 0 HH11 ARG A 30 19.084 -4.775 -2.667 1.00 3.96 H new ATOM 0 HH12 ARG A 30 20.142 -5.538 -1.475 1.00 3.96 H new ATOM 0 HH21 ARG A 30 21.175 -2.489 -0.041 1.00 4.57 H new ATOM 0 HH22 ARG A 30 21.321 -4.249 0.006 1.00 4.57 H new ATOM 488 N SER A 31 17.949 0.615 -5.325 1.00 1.72 N ATOM 489 CA SER A 31 19.149 1.409 -5.359 1.00 2.60 C ATOM 490 C SER A 31 18.812 2.843 -4.993 1.00 2.41 C ATOM 491 O SER A 31 19.707 3.676 -4.854 1.00 2.90 O ATOM 492 CB SER A 31 19.792 1.352 -6.745 1.00 3.49 C ATOM 493 OG SER A 31 18.879 1.757 -7.749 1.00 4.00 O ATOM 0 H SER A 31 17.581 0.367 -6.244 1.00 1.72 H new ATOM 0 HA SER A 31 19.862 1.009 -4.638 1.00 2.60 H new ATOM 0 HB2 SER A 31 20.671 1.996 -6.768 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.134 0.337 -6.949 1.00 3.49 H new ATOM 0 HG SER A 31 19.316 1.713 -8.625 1.00 4.00 H new ATOM 499 N ASP A 32 17.513 3.141 -4.833 1.00 1.76 N ATOM 500 CA ASP A 32 17.123 4.484 -4.472 1.00 1.59 C ATOM 501 C ASP A 32 16.842 4.545 -2.979 1.00 1.18 C ATOM 502 O ASP A 32 17.012 3.556 -2.265 1.00 1.25 O ATOM 503 CB ASP A 32 15.883 4.904 -5.268 1.00 1.59 C ATOM 504 CG ASP A 32 15.670 6.405 -5.268 1.00 1.92 C ATOM 505 OD1 ASP A 32 16.336 7.099 -6.065 1.00 2.08 O ATOM 506 OD2 ASP A 32 14.837 6.885 -4.473 1.00 2.37 O ATOM 0 H ASP A 32 16.744 2.480 -4.947 1.00 1.76 H new ATOM 0 HA ASP A 32 17.933 5.173 -4.710 1.00 1.59 H new ATOM 0 HB2 ASP A 32 15.980 4.555 -6.296 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.004 4.416 -4.848 1.00 1.59 H new ATOM 511 N GLN A 33 16.418 5.704 -2.514 1.00 1.02 N ATOM 512 CA GLN A 33 16.126 5.895 -1.105 1.00 0.76 C ATOM 513 C GLN A 33 14.633 6.076 -0.829 1.00 0.55 C ATOM 514 O GLN A 33 14.259 6.859 0.040 1.00 0.72 O ATOM 515 CB GLN A 33 16.937 7.076 -0.603 1.00 1.03 C ATOM 516 CG GLN A 33 16.485 8.417 -1.158 1.00 1.73 C ATOM 517 CD GLN A 33 17.465 9.534 -0.856 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.154 9.513 0.165 1.00 2.42 O ATOM 519 NE2 GLN A 33 17.534 10.517 -1.745 1.00 2.92 N ATOM 0 H GLN A 33 16.267 6.530 -3.093 1.00 1.02 H new ATOM 0 HA GLN A 33 16.410 4.993 -0.563 1.00 0.76 H new ATOM 0 HB2 GLN A 33 16.880 7.107 0.485 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.984 6.921 -0.863 1.00 1.03 H new ATOM 0 HG2 GLN A 33 16.356 8.334 -2.237 1.00 1.73 H new ATOM 0 HG3 GLN A 33 15.511 8.670 -0.739 1.00 1.73 H new ATOM 0 HE21 GLN A 33 16.945 10.494 -2.577 1.00 2.92 H new ATOM 0 HE22 GLN A 33 18.176 11.295 -1.596 1.00 2.92 H new ATOM 528 N HIS A 34 13.782 5.358 -1.550 1.00 0.44 N ATOM 529 CA HIS A 34 12.339 5.504 -1.363 1.00 0.36 C ATOM 530 C HIS A 34 11.633 4.165 -1.166 1.00 0.32 C ATOM 531 O HIS A 34 10.418 4.135 -0.945 1.00 0.37 O ATOM 532 CB HIS A 34 11.729 6.242 -2.556 1.00 0.57 C ATOM 533 CG HIS A 34 12.237 7.642 -2.721 1.00 0.85 C ATOM 534 ND1 HIS A 34 12.582 8.178 -3.944 1.00 1.54 N ATOM 535 CD2 HIS A 34 12.452 8.622 -1.810 1.00 1.29 C ATOM 536 CE1 HIS A 34 12.988 9.425 -3.778 1.00 1.61 C ATOM 537 NE2 HIS A 34 12.918 9.718 -2.492 1.00 1.34 N ATOM 0 H HIS A 34 14.056 4.678 -2.259 1.00 0.44 H new ATOM 0 HA HIS A 34 12.192 6.083 -0.451 1.00 0.36 H new ATOM 0 HB2 HIS A 34 11.938 5.679 -3.466 1.00 0.57 H new ATOM 0 HB3 HIS A 34 10.646 6.269 -2.440 1.00 0.57 H new ATOM 0 HD2 HIS A 34 12.287 8.553 -0.745 1.00 1.29 H new ATOM 0 HE1 HIS A 34 13.320 10.091 -4.561 1.00 1.61 H new ATOM 0 HE2 HIS A 34 13.169 10.614 -2.074 1.00 1.34 H new ATOM 546 N ILE A 35 12.382 3.069 -1.294 1.00 0.38 N ATOM 547 CA ILE A 35 11.841 1.734 -1.148 1.00 0.45 C ATOM 548 C ILE A 35 11.617 1.239 0.304 1.00 0.46 C ATOM 549 O ILE A 35 11.501 0.029 0.515 1.00 0.63 O ATOM 550 CB ILE A 35 12.788 0.736 -1.856 1.00 0.63 C ATOM 551 CG1 ILE A 35 14.068 0.492 -1.034 1.00 1.16 C ATOM 552 CG2 ILE A 35 13.123 1.240 -3.243 1.00 1.51 C ATOM 553 CD1 ILE A 35 14.988 1.691 -0.923 1.00 2.04 C ATOM 0 H ILE A 35 13.380 3.091 -1.502 1.00 0.38 H new ATOM 0 HA ILE A 35 10.848 1.784 -1.594 1.00 0.45 H new ATOM 0 HB ILE A 35 12.274 -0.221 -1.943 1.00 0.63 H new ATOM 0 HG12 ILE A 35 13.784 0.175 -0.031 1.00 1.16 H new ATOM 0 HG13 ILE A 35 14.621 -0.332 -1.484 1.00 1.16 H new ATOM 0 HG21 ILE A 35 13.790 0.533 -3.736 1.00 1.51 H new ATOM 0 HG22 ILE A 35 12.207 1.341 -3.825 1.00 1.51 H new ATOM 0 HG23 ILE A 35 13.614 2.210 -3.169 1.00 1.51 H new ATOM 0 HD11 ILE A 35 15.861 1.425 -0.327 1.00 2.04 H new ATOM 0 HD12 ILE A 35 15.307 1.998 -1.919 1.00 2.04 H new ATOM 0 HD13 ILE A 35 14.458 2.513 -0.443 1.00 2.04 H new ATOM 565 N GLN A 36 11.536 2.118 1.308 1.00 0.38 N ATOM 566 CA GLN A 36 11.336 1.628 2.680 1.00 0.37 C ATOM 567 C GLN A 36 10.074 2.182 3.359 1.00 0.35 C ATOM 568 O GLN A 36 10.081 3.270 3.945 1.00 0.35 O ATOM 569 CB GLN A 36 12.570 1.941 3.533 1.00 0.43 C ATOM 570 CG GLN A 36 12.835 3.431 3.722 1.00 0.52 C ATOM 571 CD GLN A 36 13.949 3.946 2.830 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.106 3.337 1.661 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.662 4.884 3.189 1.00 1.29 N flip ATOM 0 H GLN A 36 11.602 3.131 1.208 1.00 0.38 H new ATOM 0 HA GLN A 36 11.192 0.550 2.601 1.00 0.37 H new ATOM 0 HB2 GLN A 36 12.449 1.477 4.512 1.00 0.43 H new ATOM 0 HB3 GLN A 36 13.444 1.483 3.070 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.921 3.988 3.513 1.00 0.52 H new ATOM 0 HG3 GLN A 36 13.093 3.621 4.764 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.507 5.324 4.096 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.407 5.221 2.579 1.00 1.29 H new ATOM 582 N LEU A 37 9.013 1.382 3.355 1.00 0.36 N ATOM 583 CA LEU A 37 7.760 1.767 3.996 1.00 0.35 C ATOM 584 C LEU A 37 7.460 0.814 5.139 1.00 0.37 C ATOM 585 O LEU A 37 7.905 -0.319 5.119 1.00 0.48 O ATOM 586 CB LEU A 37 6.608 1.792 2.990 1.00 0.38 C ATOM 587 CG LEU A 37 5.971 0.437 2.676 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.668 0.267 3.440 1.00 0.94 C ATOM 589 CD2 LEU A 37 5.738 0.297 1.180 1.00 0.94 C ATOM 0 H LEU A 37 8.995 0.462 2.915 1.00 0.36 H new ATOM 0 HA LEU A 37 7.866 2.777 4.393 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.833 2.458 3.370 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.973 2.226 2.059 1.00 0.38 H new ATOM 0 HG LEU A 37 6.656 -0.349 2.994 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.231 -0.703 3.203 1.00 0.94 H new ATOM 0 HD12 LEU A 37 4.864 0.325 4.511 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.973 1.057 3.155 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.284 -0.672 0.972 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.072 1.090 0.840 1.00 0.94 H new ATOM 0 HD23 LEU A 37 6.690 0.372 0.655 1.00 0.94 H new ATOM 601 N GLN A 38 6.710 1.261 6.130 1.00 0.34 N ATOM 602 CA GLN A 38 6.401 0.413 7.265 1.00 0.39 C ATOM 603 C GLN A 38 4.910 0.059 7.274 1.00 0.40 C ATOM 604 O GLN A 38 4.051 0.909 7.516 1.00 0.41 O ATOM 605 CB GLN A 38 6.875 1.114 8.549 1.00 0.45 C ATOM 606 CG GLN A 38 5.879 2.082 9.163 1.00 0.93 C ATOM 607 CD GLN A 38 6.470 2.858 10.323 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.397 2.428 11.473 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.061 4.010 10.023 1.00 2.12 N ATOM 0 H GLN A 38 6.307 2.197 6.172 1.00 0.34 H new ATOM 0 HA GLN A 38 6.931 -0.537 7.197 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.121 0.353 9.289 1.00 0.45 H new ATOM 0 HB3 GLN A 38 7.795 1.655 8.330 1.00 0.45 H new ATOM 0 HG2 GLN A 38 5.536 2.780 8.399 1.00 0.93 H new ATOM 0 HG3 GLN A 38 5.004 1.530 9.506 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.098 4.327 9.054 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.478 4.577 10.761 1.00 2.12 H new ATOM 618 N LEU A 39 4.607 -1.208 6.978 1.00 0.43 N ATOM 619 CA LEU A 39 3.219 -1.670 6.914 1.00 0.46 C ATOM 620 C LEU A 39 2.901 -2.700 7.993 1.00 0.55 C ATOM 621 O LEU A 39 3.162 -3.892 7.832 1.00 0.77 O ATOM 622 CB LEU A 39 2.934 -2.271 5.540 1.00 0.61 C ATOM 623 CG LEU A 39 1.712 -1.699 4.823 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.477 -2.423 3.508 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.476 -1.790 5.711 1.00 1.45 C ATOM 0 H LEU A 39 5.301 -1.929 6.780 1.00 0.43 H new ATOM 0 HA LEU A 39 2.582 -0.802 7.086 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.809 -2.123 4.907 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.800 -3.347 5.652 1.00 0.61 H new ATOM 0 HG LEU A 39 1.903 -0.648 4.608 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.603 -2.002 3.012 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.350 -2.305 2.866 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.309 -3.483 3.701 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.383 -1.378 5.182 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.282 -2.834 5.959 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.644 -1.224 6.627 1.00 1.45 H new ATOM 637 N SER A 40 2.340 -2.219 9.093 1.00 0.46 N ATOM 638 CA SER A 40 1.971 -3.070 10.217 1.00 0.56 C ATOM 639 C SER A 40 0.458 -3.109 10.414 1.00 0.42 C ATOM 640 O SER A 40 -0.284 -2.368 9.776 1.00 0.37 O ATOM 641 CB SER A 40 2.638 -2.554 11.494 1.00 0.71 C ATOM 642 OG SER A 40 2.405 -3.428 12.584 1.00 1.38 O ATOM 0 H SER A 40 2.128 -1.231 9.232 1.00 0.46 H new ATOM 0 HA SER A 40 2.313 -4.082 10.000 1.00 0.56 H new ATOM 0 HB2 SER A 40 3.711 -2.451 11.331 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.255 -1.562 11.732 1.00 0.71 H new ATOM 0 HG SER A 40 2.844 -3.075 13.386 1.00 1.38 H new ATOM 648 N ALA A 41 0.017 -3.991 11.300 1.00 0.56 N ATOM 649 CA ALA A 41 -1.386 -4.061 11.684 1.00 0.56 C ATOM 650 C ALA A 41 -1.397 -3.593 13.120 1.00 0.64 C ATOM 651 O ALA A 41 -0.696 -4.149 13.962 1.00 0.84 O ATOM 652 CB ALA A 41 -1.975 -5.458 11.570 1.00 0.89 C ATOM 0 H ALA A 41 0.615 -4.672 11.769 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.002 -3.453 11.021 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.022 -5.437 11.871 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.901 -5.801 10.538 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.424 -6.139 12.219 1.00 0.89 H new ATOM 658 N GLU A 42 -2.193 -2.582 13.419 1.00 0.92 N ATOM 659 CA GLU A 42 -2.143 -1.984 14.742 1.00 1.34 C ATOM 660 C GLU A 42 -3.400 -2.134 15.578 1.00 1.34 C ATOM 661 O GLU A 42 -3.374 -2.777 16.631 1.00 1.64 O ATOM 662 CB GLU A 42 -1.800 -0.519 14.569 1.00 1.88 C ATOM 663 CG GLU A 42 -1.506 0.178 15.871 1.00 2.46 C ATOM 664 CD GLU A 42 -1.345 1.664 15.680 1.00 2.62 C ATOM 665 OE1 GLU A 42 -0.264 2.093 15.227 1.00 2.70 O ATOM 666 OE2 GLU A 42 -2.310 2.402 15.966 1.00 3.12 O ATOM 0 H GLU A 42 -2.869 -2.164 12.779 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.385 -2.528 15.306 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.934 -0.430 13.913 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.629 -0.014 14.073 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -2.314 -0.013 16.577 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.596 -0.234 16.308 1.00 2.46 H new ATOM 673 N SER A 43 -4.488 -1.534 15.140 1.00 1.09 N ATOM 674 CA SER A 43 -5.719 -1.611 15.907 1.00 1.14 C ATOM 675 C SER A 43 -6.512 -2.790 15.418 1.00 1.00 C ATOM 676 O SER A 43 -6.039 -3.519 14.554 1.00 1.09 O ATOM 677 CB SER A 43 -6.525 -0.300 15.850 1.00 1.24 C ATOM 678 OG SER A 43 -5.908 0.708 16.641 1.00 1.59 O ATOM 0 H SER A 43 -4.548 -0.997 14.275 1.00 1.09 H new ATOM 0 HA SER A 43 -5.478 -1.753 16.961 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.603 0.039 14.817 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.540 -0.476 16.205 1.00 1.24 H new ATOM 0 HG SER A 43 -6.435 1.533 16.589 1.00 1.59 H new ATOM 684 N VAL A 44 -7.691 -3.010 15.960 1.00 0.92 N ATOM 685 CA VAL A 44 -8.467 -4.151 15.527 1.00 0.91 C ATOM 686 C VAL A 44 -8.802 -4.081 14.037 1.00 0.77 C ATOM 687 O VAL A 44 -9.489 -3.170 13.582 1.00 0.79 O ATOM 688 CB VAL A 44 -9.772 -4.301 16.331 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.490 -4.815 17.734 1.00 1.85 C ATOM 690 CG2 VAL A 44 -10.541 -2.989 16.383 1.00 1.83 C ATOM 0 H VAL A 44 -8.123 -2.432 16.681 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.840 -5.024 15.708 1.00 0.91 H new ATOM 0 HB VAL A 44 -10.394 -5.034 15.818 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.428 -4.912 18.281 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.002 -5.788 17.674 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.837 -4.114 18.254 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -11.457 -3.127 16.957 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.926 -2.225 16.859 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -10.792 -2.674 15.370 1.00 1.83 H new ATOM 700 N GLY A 45 -8.278 -5.043 13.279 1.00 0.73 N ATOM 701 CA GLY A 45 -8.565 -5.135 11.864 1.00 0.67 C ATOM 702 C GLY A 45 -8.019 -3.984 11.057 1.00 0.54 C ATOM 703 O GLY A 45 -8.284 -3.888 9.860 1.00 0.56 O ATOM 0 H GLY A 45 -7.652 -5.768 13.630 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.150 -6.066 11.478 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.645 -5.185 11.724 1.00 0.67 H new ATOM 707 N GLU A 46 -7.256 -3.107 11.693 1.00 0.56 N ATOM 708 CA GLU A 46 -6.702 -1.970 10.979 1.00 0.50 C ATOM 709 C GLU A 46 -5.218 -2.131 10.690 1.00 0.40 C ATOM 710 O GLU A 46 -4.451 -2.646 11.503 1.00 0.48 O ATOM 711 CB GLU A 46 -6.940 -0.665 11.736 1.00 0.75 C ATOM 712 CG GLU A 46 -8.058 -0.753 12.748 1.00 1.02 C ATOM 713 CD GLU A 46 -8.619 0.603 13.130 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.853 1.427 13.673 1.00 1.67 O ATOM 715 OE2 GLU A 46 -9.822 0.841 12.891 1.00 1.80 O ATOM 0 H GLU A 46 -7.011 -3.159 12.682 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.227 -1.929 10.025 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.021 -0.377 12.246 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.169 0.125 11.020 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.860 -1.371 12.343 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -7.691 -1.254 13.644 1.00 1.02 H new ATOM 722 N VAL A 47 -4.840 -1.673 9.507 1.00 0.33 N ATOM 723 CA VAL A 47 -3.457 -1.708 9.046 1.00 0.33 C ATOM 724 C VAL A 47 -2.973 -0.301 8.785 1.00 0.33 C ATOM 725 O VAL A 47 -3.731 0.540 8.298 1.00 0.36 O ATOM 726 CB VAL A 47 -3.242 -2.537 7.773 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.494 -4.009 8.041 1.00 0.46 C ATOM 728 CG2 VAL A 47 -4.112 -2.028 6.634 1.00 0.48 C ATOM 0 H VAL A 47 -5.487 -1.263 8.833 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.891 -2.190 9.843 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.202 -2.424 7.468 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -3.336 -4.578 7.125 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.807 -4.362 8.810 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.521 -4.146 8.381 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.939 -2.634 5.745 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -5.162 -2.095 6.920 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.860 -0.989 6.420 1.00 0.48 H new ATOM 738 N TYR A 48 -1.723 -0.036 9.104 1.00 0.34 N ATOM 739 CA TYR A 48 -1.198 1.299 8.917 1.00 0.36 C ATOM 740 C TYR A 48 -0.022 1.316 7.956 1.00 0.38 C ATOM 741 O TYR A 48 0.976 0.623 8.149 1.00 0.39 O ATOM 742 CB TYR A 48 -0.777 1.891 10.263 1.00 0.41 C ATOM 743 CG TYR A 48 -1.068 3.369 10.396 1.00 0.55 C ATOM 744 CD1 TYR A 48 -0.636 4.274 9.433 1.00 0.91 C ATOM 745 CD2 TYR A 48 -1.775 3.861 11.486 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.900 5.625 9.555 1.00 1.00 C ATOM 747 CE2 TYR A 48 -2.044 5.209 11.614 1.00 1.79 C ATOM 748 CZ TYR A 48 -1.603 6.086 10.646 1.00 1.23 C ATOM 749 OH TYR A 48 -1.868 7.430 10.771 1.00 1.60 O ATOM 0 H TYR A 48 -1.063 -0.713 9.487 1.00 0.34 H new ATOM 0 HA TYR A 48 -1.992 1.906 8.482 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.290 1.356 11.062 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.291 1.726 10.404 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -0.085 3.915 8.576 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -2.120 3.177 12.247 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -0.557 6.316 8.799 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -2.596 5.574 12.467 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.761 7.699 11.707 1.00 1.60 H new ATOM 759 N ILE A 49 -0.164 2.125 6.916 1.00 0.42 N ATOM 760 CA ILE A 49 0.877 2.300 5.923 1.00 0.44 C ATOM 761 C ILE A 49 1.619 3.574 6.267 1.00 0.42 C ATOM 762 O ILE A 49 1.154 4.674 5.971 1.00 0.52 O ATOM 763 CB ILE A 49 0.293 2.399 4.499 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.503 1.134 4.165 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.408 2.617 3.486 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.148 1.157 2.796 1.00 1.20 C ATOM 0 H ILE A 49 -1.004 2.676 6.740 1.00 0.42 H new ATOM 0 HA ILE A 49 1.544 1.438 5.935 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.383 3.253 4.454 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.161 0.272 4.228 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.278 0.995 4.919 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.982 2.685 2.485 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.936 3.542 3.719 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.106 1.781 3.527 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.693 0.227 2.635 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.839 1.998 2.733 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.377 1.263 2.032 1.00 1.20 H new ATOM 778 N LYS A 50 2.777 3.428 6.884 1.00 0.36 N ATOM 779 CA LYS A 50 3.531 4.583 7.323 1.00 0.37 C ATOM 780 C LYS A 50 4.905 4.604 6.715 1.00 0.35 C ATOM 781 O LYS A 50 5.457 3.571 6.382 1.00 0.36 O ATOM 782 CB LYS A 50 3.632 4.618 8.853 1.00 0.44 C ATOM 783 CG LYS A 50 2.740 3.604 9.556 1.00 0.93 C ATOM 784 CD LYS A 50 2.426 4.023 10.987 1.00 0.88 C ATOM 785 CE LYS A 50 3.625 3.852 11.910 1.00 1.35 C ATOM 786 NZ LYS A 50 4.689 4.859 11.642 1.00 1.86 N ATOM 0 H LYS A 50 3.211 2.528 7.090 1.00 0.36 H new ATOM 0 HA LYS A 50 2.996 5.470 6.985 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.667 4.438 9.143 1.00 0.44 H new ATOM 0 HB3 LYS A 50 3.373 5.618 9.201 1.00 0.44 H new ATOM 0 HG2 LYS A 50 1.810 3.489 8.998 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.230 2.631 9.562 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.107 5.065 10.997 1.00 0.88 H new ATOM 0 HD3 LYS A 50 1.592 3.430 11.363 1.00 0.88 H new ATOM 0 HE2 LYS A 50 3.299 3.938 12.946 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.036 2.850 11.787 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.569 4.569 12.115 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 4.853 4.926 10.617 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 4.389 5.786 12.006 1.00 1.86 H new ATOM 800 N SER A 51 5.444 5.791 6.551 1.00 0.40 N ATOM 801 CA SER A 51 6.761 5.942 6.007 1.00 0.39 C ATOM 802 C SER A 51 7.770 5.807 7.097 1.00 0.39 C ATOM 803 O SER A 51 7.576 6.309 8.205 1.00 0.48 O ATOM 804 CB SER A 51 6.942 7.347 5.430 1.00 0.48 C ATOM 805 OG SER A 51 5.731 7.864 4.926 1.00 1.10 O ATOM 0 H SER A 51 4.981 6.668 6.791 1.00 0.40 H new ATOM 0 HA SER A 51 6.892 5.182 5.236 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.327 8.011 6.204 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.686 7.320 4.634 1.00 0.48 H new ATOM 0 HG SER A 51 5.059 7.152 4.896 1.00 1.10 H new ATOM 811 N THR A 52 8.850 5.126 6.796 1.00 0.35 N ATOM 812 CA THR A 52 9.907 5.054 7.738 1.00 0.41 C ATOM 813 C THR A 52 10.513 6.416 7.579 1.00 0.45 C ATOM 814 O THR A 52 9.994 7.389 8.128 1.00 0.53 O ATOM 815 CB THR A 52 10.918 3.941 7.417 1.00 0.43 C ATOM 816 OG1 THR A 52 10.248 2.677 7.357 1.00 0.62 O ATOM 817 CG2 THR A 52 12.009 3.893 8.467 1.00 0.77 C ATOM 0 H THR A 52 9.006 4.627 5.920 1.00 0.35 H new ATOM 0 HA THR A 52 9.581 4.811 8.749 1.00 0.41 H new ATOM 0 HB THR A 52 11.374 4.155 6.450 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.805 2.582 6.488 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.715 3.099 8.222 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.532 4.849 8.492 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.566 3.696 9.443 1.00 0.77 H new ATOM 825 N GLU A 53 11.586 6.520 6.857 1.00 0.46 N ATOM 826 CA GLU A 53 12.099 7.846 6.591 1.00 0.53 C ATOM 827 C GLU A 53 11.457 8.337 5.284 1.00 0.44 C ATOM 828 O GLU A 53 10.934 9.449 5.192 1.00 0.47 O ATOM 829 CB GLU A 53 13.624 7.825 6.464 1.00 0.68 C ATOM 830 CG GLU A 53 14.258 9.203 6.560 1.00 1.43 C ATOM 831 CD GLU A 53 15.757 9.170 6.333 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.495 8.845 7.287 1.00 2.11 O ATOM 833 OE2 GLU A 53 16.194 9.469 5.202 1.00 2.55 O ATOM 0 H GLU A 53 12.111 5.745 6.452 1.00 0.46 H new ATOM 0 HA GLU A 53 11.853 8.517 7.414 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.037 7.188 7.246 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.895 7.374 5.509 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.797 9.863 5.825 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.052 9.626 7.543 1.00 1.43 H new ATOM 840 N THR A 54 11.524 7.457 4.283 1.00 0.36 N ATOM 841 CA THR A 54 10.975 7.668 2.936 1.00 0.30 C ATOM 842 C THR A 54 9.884 6.655 2.529 1.00 0.31 C ATOM 843 O THR A 54 9.742 6.402 1.333 1.00 0.38 O ATOM 844 CB THR A 54 12.095 7.627 1.888 1.00 0.40 C ATOM 845 OG1 THR A 54 12.808 6.391 1.990 1.00 1.13 O ATOM 846 CG2 THR A 54 13.055 8.793 2.080 1.00 0.93 C ATOM 0 H THR A 54 11.975 6.548 4.388 1.00 0.36 H new ATOM 0 HA THR A 54 10.504 8.650 2.972 1.00 0.30 H new ATOM 0 HB THR A 54 11.646 7.707 0.898 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.668 6.470 1.526 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.841 8.745 1.327 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.512 9.732 1.978 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.500 8.738 3.073 1.00 0.93 H new ATOM 854 N GLY A 55 9.113 6.055 3.443 1.00 0.33 N ATOM 855 CA GLY A 55 8.255 4.963 2.974 1.00 0.40 C ATOM 856 C GLY A 55 6.854 5.233 2.430 1.00 0.46 C ATOM 857 O GLY A 55 6.414 4.399 1.646 1.00 0.56 O ATOM 0 H GLY A 55 9.063 6.283 4.436 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.805 4.441 2.191 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.145 4.266 3.805 1.00 0.40 H new ATOM 861 N GLN A 56 6.167 6.340 2.749 1.00 0.43 N ATOM 862 CA GLN A 56 4.839 6.607 2.134 1.00 0.54 C ATOM 863 C GLN A 56 3.910 7.509 2.946 1.00 0.56 C ATOM 864 O GLN A 56 3.589 7.243 4.102 1.00 0.63 O ATOM 865 CB GLN A 56 4.069 5.304 1.875 1.00 0.81 C ATOM 866 CG GLN A 56 2.708 5.527 1.257 1.00 0.91 C ATOM 867 CD GLN A 56 2.801 6.263 -0.060 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.756 6.997 -0.399 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 3.803 6.171 -0.767 1.00 1.06 N flip ATOM 0 H GLN A 56 6.488 7.050 3.407 1.00 0.43 H new ATOM 0 HA GLN A 56 5.096 7.128 1.212 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.659 4.666 1.217 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.950 4.767 2.816 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.218 4.566 1.102 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.084 6.095 1.947 1.00 0.91 H new ATOM 0 HE21 GLN A 56 4.588 5.593 -0.467 1.00 1.06 H new ATOM 0 HE22 GLN A 56 3.849 6.673 -1.654 1.00 1.06 H new ATOM 878 N TYR A 57 3.369 8.502 2.259 1.00 0.57 N ATOM 879 CA TYR A 57 2.413 9.423 2.845 1.00 0.62 C ATOM 880 C TYR A 57 1.090 9.123 2.197 1.00 0.59 C ATOM 881 O TYR A 57 0.453 9.973 1.592 1.00 0.67 O ATOM 882 CB TYR A 57 2.875 10.883 2.640 1.00 0.76 C ATOM 883 CG TYR A 57 1.799 11.965 2.480 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.720 12.016 3.357 1.00 2.17 C ATOM 885 CD2 TYR A 57 1.850 12.920 1.463 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.267 12.974 3.229 1.00 3.20 C ATOM 887 CE2 TYR A 57 0.867 13.882 1.332 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.126 13.959 2.162 1.00 3.91 C ATOM 889 OH TYR A 57 -1.169 14.861 2.087 1.00 4.98 O ATOM 0 H TYR A 57 3.581 8.691 1.279 1.00 0.57 H new ATOM 0 HA TYR A 57 2.326 9.299 3.924 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.500 11.157 3.490 1.00 0.76 H new ATOM 0 HB3 TYR A 57 3.510 10.911 1.755 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.653 11.291 4.155 1.00 2.17 H new ATOM 0 HD2 TYR A 57 2.674 12.907 0.765 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.115 12.993 3.897 1.00 3.20 H new ATOM 0 HE2 TYR A 57 0.927 14.588 0.517 1.00 3.64 H new ATOM 0 HH TYR A 57 -1.006 15.489 1.352 1.00 4.98 H new ATOM 899 N LEU A 58 0.612 7.920 2.424 1.00 0.55 N ATOM 900 CA LEU A 58 -0.593 7.513 1.743 1.00 0.58 C ATOM 901 C LEU A 58 -1.792 8.244 2.280 1.00 0.56 C ATOM 902 O LEU A 58 -2.055 8.313 3.478 1.00 0.72 O ATOM 903 CB LEU A 58 -0.788 6.003 1.792 1.00 0.70 C ATOM 904 CG LEU A 58 -0.774 5.343 0.417 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.301 3.900 0.514 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.155 5.407 -0.218 1.00 1.85 C ATOM 0 H LEU A 58 1.022 7.229 3.052 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.483 7.785 0.693 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.002 5.563 2.406 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.736 5.783 2.282 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.074 5.890 -0.215 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.299 3.450 -0.479 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.708 3.875 0.925 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.972 3.340 1.165 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.127 4.932 -1.198 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.872 4.887 0.417 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.457 6.449 -0.328 1.00 1.85 H new ATOM 918 N ALA A 59 -2.480 8.831 1.327 1.00 0.47 N ATOM 919 CA ALA A 59 -3.644 9.642 1.573 1.00 0.46 C ATOM 920 C ALA A 59 -4.722 9.327 0.547 1.00 0.46 C ATOM 921 O ALA A 59 -4.561 9.610 -0.642 1.00 0.51 O ATOM 922 CB ALA A 59 -3.243 11.110 1.511 1.00 0.54 C ATOM 0 H ALA A 59 -2.238 8.754 0.339 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.049 9.426 2.562 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.117 11.734 1.696 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.486 11.313 2.268 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.839 11.335 0.524 1.00 0.54 H new ATOM 928 N MET A 60 -5.814 8.738 1.007 1.00 0.48 N ATOM 929 CA MET A 60 -6.917 8.379 0.122 1.00 0.52 C ATOM 930 C MET A 60 -7.869 9.560 -0.098 1.00 0.55 C ATOM 931 O MET A 60 -8.420 10.102 0.860 1.00 0.74 O ATOM 932 CB MET A 60 -7.687 7.218 0.753 1.00 0.66 C ATOM 933 CG MET A 60 -7.370 5.861 0.152 1.00 1.76 C ATOM 934 SD MET A 60 -8.144 5.628 -1.455 1.00 2.80 S ATOM 935 CE MET A 60 -8.517 3.879 -1.406 1.00 3.74 C ATOM 0 H MET A 60 -5.963 8.497 1.987 1.00 0.48 H new ATOM 0 HA MET A 60 -6.509 8.094 -0.848 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.469 7.190 1.821 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.756 7.407 0.651 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.290 5.754 0.051 1.00 1.76 H new ATOM 0 HG3 MET A 60 -7.706 5.078 0.832 1.00 1.76 H new ATOM 0 HE1 MET A 60 -7.834 3.343 -2.065 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.401 3.511 -0.387 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.543 3.716 -1.736 1.00 3.74 H new ATOM 945 N ASP A 61 -8.063 9.961 -1.366 1.00 0.51 N ATOM 946 CA ASP A 61 -8.957 11.068 -1.678 1.00 0.56 C ATOM 947 C ASP A 61 -10.242 10.557 -2.308 1.00 0.56 C ATOM 948 O ASP A 61 -10.249 10.074 -3.442 1.00 0.64 O ATOM 949 CB ASP A 61 -8.282 12.075 -2.604 1.00 0.71 C ATOM 950 CG ASP A 61 -7.678 11.435 -3.835 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.399 11.289 -4.844 1.00 1.34 O ATOM 952 OD2 ASP A 61 -6.482 11.087 -3.793 1.00 1.58 O ATOM 0 H ASP A 61 -7.614 9.535 -2.177 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.201 11.573 -0.743 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -9.012 12.823 -2.912 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.501 12.599 -2.054 1.00 0.71 H new ATOM 957 N THR A 62 -11.332 10.680 -1.554 1.00 0.65 N ATOM 958 CA THR A 62 -12.649 10.219 -1.969 1.00 0.83 C ATOM 959 C THR A 62 -12.668 8.697 -2.089 1.00 0.87 C ATOM 960 O THR A 62 -13.731 8.076 -2.110 1.00 1.31 O ATOM 961 CB THR A 62 -13.107 10.862 -3.284 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.798 10.012 -4.395 1.00 1.47 O ATOM 963 CG2 THR A 62 -12.471 12.232 -3.491 1.00 1.55 C ATOM 0 H THR A 62 -11.322 11.108 -0.628 1.00 0.65 H new ATOM 0 HA THR A 62 -13.353 10.529 -1.197 1.00 0.83 H new ATOM 0 HB THR A 62 -14.187 10.994 -3.221 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.826 9.911 -4.469 1.00 1.47 H new ATOM 0 HG21 THR A 62 -12.819 12.656 -4.433 1.00 1.55 H new ATOM 0 HG22 THR A 62 -12.752 12.891 -2.670 1.00 1.55 H new ATOM 0 HG23 THR A 62 -11.386 12.129 -3.519 1.00 1.55 H new ATOM 971 N ASP A 63 -11.467 8.135 -2.183 1.00 0.78 N ATOM 972 CA ASP A 63 -11.231 6.706 -2.265 1.00 0.88 C ATOM 973 C ASP A 63 -11.257 6.231 -3.710 1.00 0.87 C ATOM 974 O ASP A 63 -11.424 5.046 -3.990 1.00 0.96 O ATOM 975 CB ASP A 63 -12.198 5.930 -1.383 1.00 1.05 C ATOM 976 CG ASP A 63 -11.534 4.727 -0.771 1.00 1.19 C ATOM 977 OD1 ASP A 63 -10.887 4.889 0.284 1.00 1.54 O ATOM 978 OD2 ASP A 63 -11.654 3.626 -1.348 1.00 1.42 O ATOM 0 H ASP A 63 -10.607 8.683 -2.205 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.231 6.506 -1.880 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.576 6.580 -0.594 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.058 5.613 -1.973 1.00 1.05 H new ATOM 983 N GLY A 64 -11.076 7.186 -4.614 1.00 0.82 N ATOM 984 CA GLY A 64 -11.074 6.897 -6.040 1.00 0.89 C ATOM 985 C GLY A 64 -9.662 6.722 -6.542 1.00 0.90 C ATOM 986 O GLY A 64 -9.367 5.860 -7.371 1.00 1.17 O ATOM 0 H GLY A 64 -10.929 8.168 -4.383 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.650 5.992 -6.234 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.561 7.708 -6.582 1.00 0.89 H new ATOM 990 N LEU A 65 -8.803 7.566 -6.010 1.00 0.72 N ATOM 991 CA LEU A 65 -7.382 7.578 -6.307 1.00 0.71 C ATOM 992 C LEU A 65 -6.643 7.830 -5.001 1.00 0.67 C ATOM 993 O LEU A 65 -7.043 8.692 -4.217 1.00 0.79 O ATOM 994 CB LEU A 65 -7.051 8.657 -7.346 1.00 0.74 C ATOM 995 CG LEU A 65 -5.747 9.426 -7.113 1.00 1.41 C ATOM 996 CD1 LEU A 65 -4.546 8.533 -7.378 1.00 2.03 C ATOM 997 CD2 LEU A 65 -5.695 10.666 -7.991 1.00 2.04 C ATOM 0 H LEU A 65 -9.080 8.284 -5.340 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.074 6.624 -6.735 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.003 8.187 -8.328 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.873 9.372 -7.374 1.00 0.74 H new ATOM 0 HG LEU A 65 -5.716 9.742 -6.070 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -3.629 9.097 -7.207 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -4.575 7.675 -6.706 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -4.572 8.186 -8.411 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -4.762 11.200 -7.812 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -5.750 10.372 -9.039 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -6.536 11.316 -7.752 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.591 7.071 -4.746 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.862 7.224 -3.494 1.00 0.68 C ATOM 1011 C LEU A 66 -3.409 7.630 -3.729 1.00 0.63 C ATOM 1012 O LEU A 66 -2.608 6.882 -4.291 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.967 5.923 -2.684 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.347 4.669 -3.494 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.384 3.433 -2.615 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.683 4.819 -4.199 1.00 1.56 C ATOM 0 H LEU A 66 -5.226 6.355 -5.374 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.314 8.033 -2.921 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -4.010 5.742 -2.194 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.707 6.064 -1.896 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.571 4.553 -4.250 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -5.655 2.566 -3.217 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -4.402 3.273 -2.171 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.122 3.571 -1.824 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.905 3.909 -4.756 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -7.466 4.993 -3.461 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.639 5.663 -4.887 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.055 8.819 -3.263 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.690 9.299 -3.473 1.00 0.63 C ATOM 1030 C TYR A 67 -1.018 9.671 -2.160 1.00 0.70 C ATOM 1031 O TYR A 67 -1.655 10.230 -1.271 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.733 10.520 -4.399 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.355 11.757 -3.770 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.673 11.735 -3.329 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.634 12.943 -3.617 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.255 12.848 -2.754 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.214 14.059 -3.041 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.467 14.039 -2.623 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.100 15.117 -2.041 1.00 1.64 O ATOM 0 H TYR A 67 -3.669 9.454 -2.753 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.106 8.498 -3.926 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.717 10.758 -4.715 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.294 10.261 -5.297 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.253 10.831 -3.438 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.609 12.990 -3.953 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.279 12.822 -2.411 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.632 14.962 -2.931 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.481 15.875 -1.997 1.00 1.64 H new ATOM 1049 N GLY A 68 0.293 9.434 -2.072 1.00 0.66 N ATOM 1050 CA GLY A 68 1.004 9.752 -0.851 1.00 0.80 C ATOM 1051 C GLY A 68 2.516 9.728 -0.970 1.00 0.81 C ATOM 1052 O GLY A 68 3.054 8.943 -1.750 1.00 0.85 O ATOM 0 H GLY A 68 0.864 9.033 -2.816 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.696 10.742 -0.515 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.703 9.045 -0.078 1.00 0.80 H new ATOM 1056 N SER A 69 3.225 10.579 -0.212 1.00 0.91 N ATOM 1057 CA SER A 69 4.702 10.517 -0.286 1.00 1.08 C ATOM 1058 C SER A 69 5.570 10.885 0.946 1.00 1.38 C ATOM 1059 O SER A 69 6.424 10.089 1.337 1.00 1.62 O ATOM 1060 CB SER A 69 5.175 11.382 -1.431 1.00 1.08 C ATOM 1061 OG SER A 69 6.573 11.252 -1.617 1.00 1.39 O ATOM 0 H SER A 69 2.837 11.277 0.422 1.00 0.91 H new ATOM 0 HA SER A 69 4.860 9.444 -0.395 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.654 11.099 -2.346 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.926 12.424 -1.232 1.00 1.08 H new ATOM 0 HG SER A 69 6.994 12.136 -1.564 1.00 1.39 H new ATOM 1067 N GLN A 70 5.376 12.052 1.557 1.00 1.49 N ATOM 1068 CA GLN A 70 6.290 12.482 2.647 1.00 1.85 C ATOM 1069 C GLN A 70 6.015 11.976 4.072 1.00 1.93 C ATOM 1070 O GLN A 70 6.933 11.523 4.756 1.00 2.19 O ATOM 1071 CB GLN A 70 6.331 14.011 2.685 1.00 2.07 C ATOM 1072 CG GLN A 70 7.281 14.629 1.674 1.00 2.63 C ATOM 1073 CD GLN A 70 6.851 14.395 0.241 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.254 13.417 -0.386 1.00 3.66 O ATOM 1075 NE2 GLN A 70 6.030 15.296 -0.286 1.00 3.79 N ATOM 0 H GLN A 70 4.625 12.707 1.336 1.00 1.49 H new ATOM 0 HA GLN A 70 7.236 12.012 2.378 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.327 14.396 2.507 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.622 14.332 3.685 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.350 15.701 1.857 1.00 2.63 H new ATOM 0 HG3 GLN A 70 8.279 14.215 1.821 1.00 2.63 H new ATOM 0 HE21 GLN A 70 5.721 16.092 0.272 1.00 3.79 H new ATOM 0 HE22 GLN A 70 5.708 15.192 -1.248 1.00 3.79 H new ATOM 1084 N THR A 71 4.776 12.053 4.513 1.00 1.75 N ATOM 1085 CA THR A 71 4.421 11.658 5.894 1.00 1.78 C ATOM 1086 C THR A 71 3.191 10.756 5.965 1.00 1.56 C ATOM 1087 O THR A 71 2.330 10.846 5.129 1.00 1.63 O ATOM 1088 CB THR A 71 4.168 12.904 6.756 1.00 1.94 C ATOM 1089 OG1 THR A 71 3.808 14.012 5.922 1.00 2.26 O ATOM 1090 CG2 THR A 71 5.399 13.256 7.579 1.00 2.31 C ATOM 0 H THR A 71 3.990 12.381 3.952 1.00 1.75 H new ATOM 0 HA THR A 71 5.271 11.091 6.273 1.00 1.78 H new ATOM 0 HB THR A 71 3.348 12.684 7.440 1.00 1.94 H new ATOM 0 HG1 THR A 71 3.647 14.802 6.479 1.00 2.26 H new ATOM 0 HG21 THR A 71 5.194 14.142 8.180 1.00 2.31 H new ATOM 0 HG22 THR A 71 5.649 12.422 8.235 1.00 2.31 H new ATOM 0 HG23 THR A 71 6.237 13.457 6.912 1.00 2.31 H new ATOM 1098 N PRO A 72 2.995 9.964 7.027 1.00 1.41 N ATOM 1099 CA PRO A 72 1.838 9.095 7.087 1.00 1.20 C ATOM 1100 C PRO A 72 0.821 9.519 8.146 1.00 1.04 C ATOM 1101 O PRO A 72 1.001 9.288 9.342 1.00 1.06 O ATOM 1102 CB PRO A 72 2.505 7.805 7.532 1.00 1.31 C ATOM 1103 CG PRO A 72 3.620 8.248 8.452 1.00 1.49 C ATOM 1104 CD PRO A 72 3.893 9.713 8.152 1.00 1.53 C ATOM 0 HA PRO A 72 1.273 9.067 6.155 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.801 7.153 8.048 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.893 7.245 6.681 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.334 8.116 9.495 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.515 7.648 8.288 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.668 10.353 9.005 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.936 9.888 7.889 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.255 10.148 7.671 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.332 10.617 8.530 1.00 0.86 C ATOM 1114 C ASN A 73 -2.346 9.526 8.547 1.00 0.68 C ATOM 1115 O ASN A 73 -2.127 8.514 7.870 1.00 0.71 O ATOM 1116 CB ASN A 73 -1.941 11.914 7.990 1.00 0.98 C ATOM 1117 CG ASN A 73 -0.941 13.052 7.949 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -0.043 13.135 8.787 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -1.090 13.936 6.969 1.00 2.17 N ATOM 0 H ASN A 73 -0.400 10.344 6.681 1.00 0.94 H new ATOM 0 HA ASN A 73 -0.968 10.841 9.533 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.329 11.739 6.986 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.788 12.201 8.613 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -0.446 14.723 6.889 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -1.849 13.828 6.296 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.468 9.656 9.237 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.354 8.569 9.061 1.00 0.47 C ATOM 1128 C GLU A 74 -5.425 9.041 8.127 1.00 0.52 C ATOM 1129 O GLU A 74 -6.418 9.683 8.456 1.00 0.64 O ATOM 1130 CB GLU A 74 -4.948 8.129 10.402 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.366 9.287 11.293 1.00 1.15 C ATOM 1132 CD GLU A 74 -5.947 8.826 12.616 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -7.121 8.398 12.633 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -5.229 8.894 13.635 1.00 2.11 O ATOM 0 H GLU A 74 -3.749 10.419 9.853 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.836 7.702 8.651 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.814 7.495 10.215 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.215 7.520 10.932 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.503 9.925 11.482 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.103 9.896 10.769 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.130 8.610 6.941 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.890 8.728 5.739 1.00 0.52 C ATOM 1143 C GLU A 75 -5.667 7.423 5.008 1.00 0.40 C ATOM 1144 O GLU A 75 -6.482 6.970 4.201 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.386 9.899 4.906 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.497 11.237 5.615 1.00 0.89 C ATOM 1147 CD GLU A 75 -4.871 12.369 4.825 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -5.536 12.894 3.907 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -3.712 12.730 5.123 1.00 2.16 O ATOM 0 H GLU A 75 -4.255 8.113 6.775 1.00 0.49 H new ATOM 0 HA GLU A 75 -6.946 8.913 5.935 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.344 9.723 4.639 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -5.951 9.942 3.975 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.548 11.462 5.795 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.014 11.169 6.590 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.442 6.894 5.252 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.979 5.653 4.647 1.00 0.47 C ATOM 1158 C CYS A 76 -4.438 4.400 5.402 1.00 0.40 C ATOM 1159 O CYS A 76 -4.062 3.289 5.034 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.452 5.657 4.638 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.713 4.950 6.129 1.00 1.40 S ATOM 0 H CYS A 76 -3.760 7.327 5.875 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.404 5.611 3.644 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.101 5.099 3.770 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.101 6.682 4.521 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.421 4.898 5.990 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.247 4.560 6.440 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.675 3.420 7.234 1.00 0.46 C ATOM 1169 C LEU A 77 -6.744 2.631 6.508 1.00 0.39 C ATOM 1170 O LEU A 77 -7.761 3.179 6.073 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.160 3.862 8.625 1.00 0.66 C ATOM 1172 CG LEU A 77 -7.604 4.368 8.717 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -8.570 3.212 8.947 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -7.730 5.389 9.835 1.00 1.59 C ATOM 0 H LEU A 77 -5.616 5.459 6.749 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.814 2.768 7.378 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.049 3.020 9.308 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -5.499 4.651 8.982 1.00 0.66 H new ATOM 0 HG LEU A 77 -7.862 4.845 7.771 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -9.588 3.596 9.009 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -8.498 2.507 8.119 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.316 2.705 9.878 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -8.760 5.742 9.891 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -7.452 4.927 10.782 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -7.068 6.232 9.634 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.496 1.341 6.367 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.426 0.468 5.692 1.00 0.39 C ATOM 1188 C PHE A 78 -7.659 -0.810 6.513 1.00 0.36 C ATOM 1189 O PHE A 78 -6.893 -1.119 7.425 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.929 0.123 4.280 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.317 1.281 3.536 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.036 2.449 3.331 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.021 1.205 3.050 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -6.473 3.517 2.655 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.454 2.269 2.373 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.191 3.414 2.148 1.00 0.84 C ATOM 0 H PHE A 78 -5.655 0.879 6.713 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.376 0.993 5.596 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.192 -0.677 4.353 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.765 -0.266 3.699 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.047 2.526 3.703 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.447 0.303 3.202 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.035 4.430 2.524 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.435 2.204 2.021 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.767 4.227 1.577 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.724 -1.538 6.190 1.00 0.37 N ATOM 1207 CA LEU A 79 -9.079 -2.776 6.881 1.00 0.37 C ATOM 1208 C LEU A 79 -8.317 -3.939 6.277 1.00 0.35 C ATOM 1209 O LEU A 79 -8.158 -4.019 5.062 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.586 -3.034 6.804 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.073 -4.273 7.559 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.420 -4.006 8.211 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -11.165 -5.469 6.624 1.00 1.09 C ATOM 0 H LEU A 79 -9.368 -1.286 5.440 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.807 -2.675 7.932 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -11.109 -2.161 7.195 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.869 -3.132 5.756 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.349 -4.502 8.341 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.750 -4.898 8.743 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.326 -3.178 8.914 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -13.151 -3.750 7.444 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.513 -6.340 7.180 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.866 -5.248 5.819 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -10.182 -5.677 6.202 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.848 -4.841 7.124 1.00 0.39 N ATOM 1226 CA GLU A 80 -7.060 -5.965 6.650 1.00 0.42 C ATOM 1227 C GLU A 80 -7.913 -7.206 6.407 1.00 0.40 C ATOM 1228 O GLU A 80 -8.725 -7.601 7.244 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.966 -6.305 7.660 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.855 -7.166 7.084 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.841 -7.590 8.129 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -4.131 -8.541 8.886 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.756 -6.974 8.191 1.00 2.07 O ATOM 0 H GLU A 80 -7.997 -4.817 8.133 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.618 -5.664 5.700 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.536 -5.380 8.043 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.414 -6.823 8.508 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.290 -8.054 6.625 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.347 -6.615 6.293 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.704 -7.806 5.239 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.418 -9.002 4.827 1.00 0.39 C ATOM 1242 C ARG A 81 -7.413 -10.072 4.424 1.00 0.48 C ATOM 1243 O ARG A 81 -6.491 -9.810 3.656 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.361 -8.689 3.662 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.165 -9.885 3.178 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.304 -10.221 4.130 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.824 -10.783 5.390 1.00 2.05 N ATOM 1248 CZ ARG A 81 -11.616 -11.058 6.424 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.919 -10.827 6.345 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -11.104 -11.568 7.536 1.00 3.75 N ATOM 0 H ARG A 81 -7.030 -7.471 4.550 1.00 0.38 H new ATOM 0 HA ARG A 81 -9.019 -9.367 5.660 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.049 -7.901 3.967 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.776 -8.297 2.830 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.569 -9.675 2.187 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.508 -10.749 3.078 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.883 -9.320 4.333 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.978 -10.931 3.651 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.827 -10.975 5.483 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -13.317 -10.438 5.490 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -13.524 -11.039 7.139 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -10.102 -11.750 7.600 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -11.712 -11.778 8.328 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.593 -11.271 4.945 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.682 -12.370 4.654 1.00 0.82 C ATOM 1266 C LEU A 82 -7.197 -13.236 3.510 1.00 0.66 C ATOM 1267 O LEU A 82 -8.346 -13.677 3.513 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.466 -13.217 5.909 1.00 1.25 C ATOM 1269 CG LEU A 82 -7.746 -13.717 6.574 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -8.085 -15.121 6.091 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -7.605 -13.693 8.089 1.00 1.65 C ATOM 0 H LEU A 82 -8.360 -11.512 5.572 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.729 -11.944 4.341 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -5.850 -14.077 5.648 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.903 -12.629 6.634 1.00 1.25 H new ATOM 0 HG LEU A 82 -8.562 -13.051 6.294 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -9.000 -15.461 6.575 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -8.229 -15.109 5.011 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -7.269 -15.799 6.341 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -8.527 -14.053 8.546 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -6.777 -14.336 8.388 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -7.410 -12.673 8.420 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.341 -13.451 2.520 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.687 -14.272 1.367 1.00 0.82 C ATOM 1285 C GLU A 83 -6.316 -15.727 1.631 1.00 1.29 C ATOM 1286 O GLU A 83 -5.488 -16.017 2.495 1.00 2.03 O ATOM 1287 CB GLU A 83 -5.972 -13.760 0.113 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.435 -14.428 -1.171 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.911 -14.212 -1.445 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.737 -14.958 -0.876 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -8.243 -13.297 -2.228 1.00 2.48 O ATOM 0 H GLU A 83 -5.397 -13.066 2.492 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.762 -14.208 1.202 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.129 -12.685 0.030 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -4.900 -13.917 0.227 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -5.854 -14.040 -2.007 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.233 -15.498 -1.112 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.926 -16.639 0.883 1.00 1.26 N ATOM 1299 CA GLU A 84 -6.662 -18.063 1.052 1.00 1.78 C ATOM 1300 C GLU A 84 -5.565 -18.522 0.097 1.00 1.46 C ATOM 1301 O GLU A 84 -4.955 -19.574 0.297 1.00 1.49 O ATOM 1302 CB GLU A 84 -7.944 -18.868 0.811 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.749 -20.375 0.873 1.00 3.44 C ATOM 1304 CD GLU A 84 -7.228 -20.845 2.218 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.993 -20.896 2.392 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -8.056 -21.160 3.099 1.00 3.98 O ATOM 0 H GLU A 84 -7.606 -16.419 0.155 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.323 -18.234 2.074 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -8.688 -18.577 1.553 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -8.348 -18.604 -0.166 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -8.698 -20.869 0.663 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.052 -20.679 0.092 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.307 -17.725 -0.932 1.00 1.98 N ATOM 1314 CA ASN A 85 -4.272 -18.054 -1.901 1.00 2.36 C ATOM 1315 C ASN A 85 -2.966 -17.367 -1.535 1.00 1.83 C ATOM 1316 O ASN A 85 -2.225 -16.899 -2.400 1.00 2.36 O ATOM 1317 CB ASN A 85 -4.709 -17.659 -3.314 1.00 3.24 C ATOM 1318 CG ASN A 85 -5.896 -18.471 -3.799 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -7.048 -18.087 -3.600 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -5.617 -19.599 -4.442 1.00 4.33 N ATOM 0 H ASN A 85 -5.798 -16.850 -1.116 1.00 1.98 H new ATOM 0 HA ASN A 85 -4.114 -19.132 -1.882 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.966 -16.600 -3.330 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.874 -17.795 -4.001 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -6.373 -20.186 -4.794 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.646 -19.878 -4.584 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.697 -17.330 -0.238 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.484 -16.710 0.289 1.00 1.29 C ATOM 1329 C HIS A 86 -1.315 -15.284 -0.239 1.00 1.07 C ATOM 1330 O HIS A 86 -0.337 -14.969 -0.918 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.258 -17.558 -0.066 1.00 2.00 C ATOM 1332 CG HIS A 86 1.019 -17.057 0.537 1.00 2.54 C ATOM 1333 ND1 HIS A 86 2.108 -16.673 -0.219 1.00 3.33 N ATOM 1334 CD2 HIS A 86 1.380 -16.876 1.830 1.00 3.02 C ATOM 1335 CE1 HIS A 86 3.081 -16.280 0.583 1.00 3.99 C ATOM 1336 NE2 HIS A 86 2.665 -16.393 1.830 1.00 3.81 N ATOM 0 H HIS A 86 -3.307 -17.725 0.477 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.577 -16.657 1.374 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -0.428 -18.582 0.265 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -0.150 -17.588 -1.150 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.770 -17.075 2.699 1.00 3.02 H new ATOM 0 HE1 HIS A 86 4.052 -15.926 0.271 1.00 3.99 H new ATOM 0 HE2 HIS A 86 3.210 -16.159 2.660 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.284 -14.429 0.068 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.238 -13.034 -0.363 1.00 0.49 C ATOM 1347 C TYR A 87 -2.868 -12.117 0.680 1.00 0.46 C ATOM 1348 O TYR A 87 -3.656 -12.559 1.514 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.959 -12.859 -1.701 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.130 -13.254 -2.903 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.915 -12.635 -3.168 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.561 -14.250 -3.770 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.154 -12.996 -4.265 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.807 -14.615 -4.868 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.606 -13.974 -5.115 1.00 2.70 C ATOM 1356 OH TYR A 87 0.148 -14.350 -6.203 1.00 3.60 O ATOM 0 H TYR A 87 -3.110 -14.675 0.613 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.190 -12.760 -0.483 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.872 -13.454 -1.691 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.260 -11.817 -1.806 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.559 -11.859 -2.507 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.501 -14.747 -3.582 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.792 -12.510 -4.452 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.153 -15.396 -5.529 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.320 -15.055 -6.697 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.504 -10.840 0.633 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.048 -9.860 1.556 1.00 0.38 C ATOM 1368 C ASN A 88 -3.991 -8.920 0.821 1.00 0.34 C ATOM 1369 O ASN A 88 -3.687 -8.457 -0.279 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.917 -9.065 2.206 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.251 -9.822 3.339 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.271 -10.538 3.132 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.783 -9.666 4.547 1.00 1.60 N ATOM 0 H ASN A 88 -1.834 -10.463 -0.037 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.604 -10.381 2.335 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.171 -8.817 1.451 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.311 -8.122 2.586 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.379 -10.150 5.349 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.596 -9.062 4.672 1.00 1.60 H new ATOM 1380 N THR A 89 -5.132 -8.643 1.432 1.00 0.36 N ATOM 1381 CA THR A 89 -6.116 -7.760 0.835 1.00 0.37 C ATOM 1382 C THR A 89 -6.438 -6.634 1.801 1.00 0.37 C ATOM 1383 O THR A 89 -6.084 -6.712 2.972 1.00 0.40 O ATOM 1384 CB THR A 89 -7.401 -8.522 0.468 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.065 -9.795 -0.098 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.222 -7.726 -0.535 1.00 0.49 C ATOM 0 H THR A 89 -5.398 -9.019 2.342 1.00 0.36 H new ATOM 0 HA THR A 89 -5.697 -7.349 -0.083 1.00 0.37 H new ATOM 0 HB THR A 89 -7.990 -8.667 1.374 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.886 -10.277 -0.329 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.128 -8.279 -0.784 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.492 -6.763 -0.101 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.635 -7.565 -1.439 1.00 0.49 H new ATOM 1394 N TYR A 90 -7.090 -5.582 1.321 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.424 -4.459 2.194 1.00 0.42 C ATOM 1396 C TYR A 90 -8.716 -3.764 1.772 1.00 0.38 C ATOM 1397 O TYR A 90 -9.124 -3.832 0.612 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.282 -3.439 2.211 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.953 -3.994 2.675 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.742 -4.327 4.006 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.908 -4.182 1.778 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.527 -4.830 4.431 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.692 -4.685 2.196 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.506 -5.008 3.523 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.295 -5.508 3.944 1.00 0.87 O ATOM 0 H TYR A 90 -7.394 -5.481 0.353 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.572 -4.868 3.194 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.161 -3.031 1.207 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.562 -2.610 2.860 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.540 -4.191 4.721 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -4.049 -3.931 0.737 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.378 -5.083 5.470 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.890 -4.825 1.486 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.685 -5.573 3.180 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.355 -3.096 2.735 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.579 -2.352 2.486 1.00 0.35 C ATOM 1417 C ILE A 91 -10.323 -0.899 2.828 1.00 0.36 C ATOM 1418 O ILE A 91 -9.624 -0.605 3.785 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.777 -2.897 3.309 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.853 -3.439 2.371 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.371 -1.824 4.216 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.413 -4.645 1.569 1.00 1.55 C ATOM 0 H ILE A 91 -9.036 -3.059 3.703 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.850 -2.461 1.436 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.406 -3.703 3.942 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.732 -3.705 2.957 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.155 -2.648 1.684 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.207 -2.243 4.776 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.609 -1.472 4.911 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.722 -0.989 3.610 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.230 -4.973 0.926 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.553 -4.379 0.955 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.139 -5.453 2.247 1.00 1.55 H new ATOM 1434 N SER A 92 -10.920 0.007 2.089 1.00 0.36 N ATOM 1435 CA SER A 92 -10.682 1.413 2.330 1.00 0.40 C ATOM 1436 C SER A 92 -11.643 1.941 3.363 1.00 0.43 C ATOM 1437 O SER A 92 -12.780 2.300 3.074 1.00 0.53 O ATOM 1438 CB SER A 92 -10.810 2.202 1.037 1.00 0.47 C ATOM 1439 OG SER A 92 -11.217 1.366 -0.028 1.00 1.33 O ATOM 0 H SER A 92 -11.565 -0.199 1.326 1.00 0.36 H new ATOM 0 HA SER A 92 -9.667 1.531 2.709 1.00 0.40 H new ATOM 0 HB2 SER A 92 -11.532 3.008 1.168 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.855 2.667 0.794 1.00 0.47 H new ATOM 0 HG SER A 92 -11.502 1.918 -0.786 1.00 1.33 H new ATOM 1445 N LYS A 93 -11.159 1.979 4.584 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.945 2.460 5.693 1.00 0.54 C ATOM 1447 C LYS A 93 -12.084 3.976 5.624 1.00 0.57 C ATOM 1448 O LYS A 93 -12.793 4.581 6.422 1.00 0.72 O ATOM 1449 CB LYS A 93 -11.279 2.011 6.988 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.736 0.638 7.439 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.022 0.191 8.705 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.743 0.663 9.956 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.783 2.148 10.055 1.00 1.58 N ATOM 0 H LYS A 93 -10.216 1.679 4.833 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.952 2.046 5.653 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.198 2.002 6.851 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -11.495 2.736 7.772 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.812 0.653 7.615 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.553 -0.085 6.644 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -10.949 -0.896 8.716 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -10.003 0.579 8.704 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.761 0.273 9.956 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.246 0.255 10.836 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -12.081 2.424 11.012 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.837 2.534 9.862 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.459 2.524 9.360 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.455 4.574 4.614 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.524 6.014 4.420 1.00 0.67 C ATOM 1469 C LYS A 94 -12.971 6.381 4.215 1.00 0.79 C ATOM 1470 O LYS A 94 -13.601 7.035 5.050 1.00 0.97 O ATOM 1471 CB LYS A 94 -10.699 6.443 3.193 1.00 0.69 C ATOM 1472 CG LYS A 94 -10.836 7.917 2.827 1.00 1.21 C ATOM 1473 CD LYS A 94 -9.838 8.784 3.584 1.00 1.56 C ATOM 1474 CE LYS A 94 -10.261 9.008 5.027 1.00 2.00 C ATOM 1475 NZ LYS A 94 -11.619 9.612 5.122 1.00 2.32 N ATOM 0 H LYS A 94 -10.893 4.081 3.920 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.113 6.524 5.291 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -9.648 6.224 3.382 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.001 5.839 2.338 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -10.685 8.041 1.755 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -11.849 8.253 3.047 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -8.857 8.310 3.563 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.739 9.746 3.081 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -10.249 8.057 5.560 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -9.539 9.659 5.520 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -11.696 10.156 6.005 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.775 10.245 4.311 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -12.335 8.858 5.116 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.504 5.912 3.108 1.00 0.76 N ATOM 1490 CA HIS A 95 -14.884 6.164 2.786 1.00 0.96 C ATOM 1491 C HIS A 95 -15.772 5.382 3.725 1.00 1.01 C ATOM 1492 O HIS A 95 -16.954 5.679 3.876 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.182 5.750 1.352 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.048 4.277 1.170 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -13.926 3.690 0.644 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -15.876 3.263 1.514 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -14.064 2.382 0.674 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -15.236 2.097 1.200 1.00 2.32 N ATOM 0 H HIS A 95 -13.000 5.355 2.418 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.078 7.231 2.893 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -16.192 6.060 1.085 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -14.501 6.265 0.674 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -16.858 3.358 1.954 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -13.337 1.663 0.325 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -15.607 1.158 1.349 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.157 4.383 4.349 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.826 3.482 5.280 1.00 1.02 C ATOM 1509 C ALA A 96 -17.256 3.153 4.856 1.00 1.03 C ATOM 1510 O ALA A 96 -17.530 2.100 4.272 1.00 1.05 O ATOM 1511 CB ALA A 96 -15.824 4.083 6.678 1.00 1.18 C ATOM 0 H ALA A 96 -14.167 4.174 4.221 1.00 0.94 H new ATOM 0 HA ALA A 96 -15.267 2.546 5.277 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -16.326 3.403 7.367 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -14.796 4.238 7.006 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -16.349 5.038 6.664 1.00 1.18 H new ATOM 1517 N GLU A 97 -18.147 4.088 5.137 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.573 3.935 4.871 1.00 1.16 C ATOM 1519 C GLU A 97 -19.937 3.635 3.410 1.00 1.07 C ATOM 1520 O GLU A 97 -21.077 3.252 3.149 1.00 1.18 O ATOM 1521 CB GLU A 97 -20.310 5.195 5.323 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.046 5.563 6.774 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.599 6.927 7.139 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.786 7.004 7.522 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -19.845 7.918 7.045 1.00 3.42 O ATOM 0 H GLU A 97 -17.902 4.983 5.560 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.882 3.057 5.438 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.014 6.028 4.685 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -21.381 5.050 5.182 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -20.491 4.809 7.423 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -18.972 5.549 6.959 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.021 3.790 2.446 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.416 3.521 1.057 1.00 0.88 C ATOM 1534 C LYS A 98 -19.118 2.081 0.612 1.00 0.83 C ATOM 1535 O LYS A 98 -19.552 1.665 -0.463 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.739 4.515 0.113 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.562 5.770 -0.142 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.558 6.701 1.060 1.00 1.98 C ATOM 1539 CE LYS A 98 -18.389 7.671 1.008 1.00 2.14 C ATOM 1540 NZ LYS A 98 -18.346 8.556 2.205 1.00 2.65 N ATOM 0 H LYS A 98 -18.054 4.083 2.587 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.498 3.645 1.011 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.774 4.802 0.532 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.539 4.022 -0.838 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.164 6.295 -1.010 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.588 5.490 -0.381 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -20.494 7.259 1.093 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.505 6.114 1.977 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -17.456 7.111 0.937 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -18.464 8.281 0.108 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -17.534 9.202 2.130 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -19.225 9.109 2.259 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -18.249 7.976 3.062 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.371 1.335 1.424 1.00 0.82 N ATOM 1555 CA ASN A 99 -18.118 -0.095 1.171 1.00 0.84 C ATOM 1556 C ASN A 99 -17.122 -0.408 0.033 1.00 0.68 C ATOM 1557 O ASN A 99 -17.072 -1.554 -0.415 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.439 -0.823 0.905 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.384 -2.288 1.299 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.682 -2.647 2.438 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -19.000 -3.143 0.357 1.00 2.00 N ATOM 0 H ASN A 99 -17.925 1.693 2.269 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.639 -0.455 2.081 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -20.239 -0.331 1.458 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.687 -0.744 -0.153 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.943 -4.140 0.565 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.762 -2.802 -0.575 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.329 0.550 -0.445 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.380 0.241 -1.515 1.00 0.44 C ATOM 1570 C TRP A 100 -14.143 -0.468 -0.960 1.00 0.41 C ATOM 1571 O TRP A 100 -13.924 -0.536 0.253 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.898 1.479 -2.273 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.905 2.551 -2.565 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -17.260 2.530 -2.407 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.580 3.840 -3.076 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.791 3.752 -2.775 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.770 4.574 -3.190 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.380 4.439 -3.439 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.782 5.896 -3.656 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.391 5.738 -3.895 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.573 6.457 -3.999 1.00 1.01 C ATOM 0 H TRP A 100 -16.322 1.517 -0.122 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.928 -0.401 -2.205 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.086 1.928 -1.701 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -14.475 1.148 -3.222 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.831 1.686 -2.049 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.779 4.003 -2.744 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.451 3.893 -3.364 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.704 6.452 -3.742 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.460 6.207 -4.178 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.544 7.476 -4.356 1.00 1.01 H new ATOM 1592 N PHE A 101 -13.330 -0.980 -1.872 1.00 0.50 N ATOM 1593 CA PHE A 101 -12.091 -1.668 -1.519 1.00 0.51 C ATOM 1594 C PHE A 101 -10.911 -0.723 -1.732 1.00 0.55 C ATOM 1595 O PHE A 101 -11.005 0.206 -2.526 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.881 -2.927 -2.369 1.00 0.60 C ATOM 1597 CG PHE A 101 -13.102 -3.786 -2.544 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.119 -3.398 -3.400 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -13.245 -4.966 -1.832 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.257 -4.169 -3.542 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -14.377 -5.745 -1.974 1.00 0.79 C ATOM 1602 CZ PHE A 101 -15.331 -5.405 -2.910 1.00 0.77 C ATOM 0 H PHE A 101 -13.507 -0.932 -2.875 1.00 0.50 H new ATOM 0 HA PHE A 101 -12.160 -1.969 -0.474 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.522 -2.627 -3.354 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -11.095 -3.528 -1.913 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.022 -2.482 -3.963 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -12.462 -5.281 -1.158 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -16.083 -3.814 -4.140 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -14.515 -6.618 -1.353 1.00 0.79 H new ATOM 0 HZ PHE A 101 -16.128 -6.093 -3.150 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.847 -0.873 -0.957 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.672 -0.032 -1.162 1.00 0.55 C ATOM 1614 C VAL A 102 -7.659 -0.767 -2.033 1.00 0.50 C ATOM 1615 O VAL A 102 -7.145 -1.818 -1.651 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.995 0.378 0.157 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.696 -0.840 1.005 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.720 1.158 -0.120 1.00 1.27 C ATOM 0 H VAL A 102 -9.770 -1.550 -0.198 1.00 0.52 H new ATOM 0 HA VAL A 102 -9.016 0.878 -1.653 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.681 1.020 0.709 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -7.217 -0.528 1.933 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.626 -1.362 1.233 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -7.030 -1.508 0.460 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -6.254 1.440 0.824 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -6.031 0.538 -0.694 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.959 2.056 -0.689 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.382 -0.223 -3.211 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.430 -0.863 -4.096 1.00 0.61 C ATOM 1630 C GLY A 103 -5.423 0.083 -4.703 1.00 0.54 C ATOM 1631 O GLY A 103 -5.673 1.279 -4.916 1.00 0.66 O ATOM 0 H GLY A 103 -7.794 0.640 -3.566 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.898 -1.637 -3.542 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.974 -1.362 -4.898 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.267 -0.457 -4.984 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.219 0.335 -5.578 1.00 0.50 C ATOM 1637 C LEU A 104 -2.554 -0.368 -6.734 1.00 0.59 C ATOM 1638 O LEU A 104 -2.330 -1.577 -6.684 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.178 0.725 -4.542 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.806 -0.309 -3.486 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -1.182 -1.548 -4.110 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.842 0.330 -2.507 1.00 1.27 C ATOM 0 H LEU A 104 -4.027 -1.434 -4.814 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.693 1.236 -5.966 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.267 1.006 -5.071 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.535 1.617 -4.027 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.711 -0.631 -2.971 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.930 -2.262 -3.326 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.891 -2.003 -4.802 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.277 -1.267 -4.650 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.564 -0.396 -1.743 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.052 0.658 -3.038 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.319 1.189 -2.035 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.250 0.366 -7.794 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.532 -0.261 -8.881 1.00 0.54 C ATOM 1656 C LYS A 105 -0.078 0.104 -8.742 1.00 0.49 C ATOM 1657 O LYS A 105 0.381 1.127 -9.229 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.080 0.190 -10.238 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.466 -0.536 -11.425 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.895 -1.994 -11.472 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.433 -2.668 -12.755 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.870 -4.089 -12.823 1.00 2.09 N ATOM 0 H LYS A 105 -2.479 1.352 -7.920 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.656 -1.343 -8.834 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.159 0.038 -10.251 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.907 1.260 -10.351 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.762 -0.039 -12.349 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -0.379 -0.478 -11.366 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.484 -2.524 -10.613 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -2.980 -2.058 -11.396 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -1.829 -2.125 -13.613 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -0.346 -2.619 -12.820 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.846 -4.413 -13.811 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.231 -4.676 -12.250 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.839 -4.172 -12.455 1.00 2.09 H new ATOM 1676 N LYS A 106 0.670 -0.806 -8.171 1.00 0.46 N ATOM 1677 CA LYS A 106 2.069 -0.564 -7.961 1.00 0.44 C ATOM 1678 C LYS A 106 2.807 -0.671 -9.267 1.00 0.44 C ATOM 1679 O LYS A 106 3.820 -0.022 -9.461 1.00 0.46 O ATOM 1680 CB LYS A 106 2.650 -1.525 -6.925 1.00 0.51 C ATOM 1681 CG LYS A 106 2.722 -2.966 -7.402 1.00 0.81 C ATOM 1682 CD LYS A 106 3.986 -3.229 -8.192 1.00 1.11 C ATOM 1683 CE LYS A 106 4.078 -4.664 -8.686 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.257 -4.734 -10.163 1.00 1.57 N ATOM 0 H LYS A 106 0.335 -1.713 -7.847 1.00 0.46 H new ATOM 0 HA LYS A 106 2.190 0.446 -7.570 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.651 -1.191 -6.654 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.043 -1.481 -6.021 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.683 -3.636 -6.543 1.00 0.81 H new ATOM 0 HG3 LYS A 106 1.853 -3.189 -8.021 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.025 -2.552 -9.045 1.00 1.11 H new ATOM 0 HD3 LYS A 106 4.852 -3.007 -7.569 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.913 -5.164 -8.195 1.00 1.02 H new ATOM 0 HE3 LYS A 106 3.174 -5.203 -8.404 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 3.768 -5.574 -10.533 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 3.857 -3.880 -10.602 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 5.271 -4.797 -10.387 1.00 1.57 H new ATOM 1698 N ASN A 107 2.307 -1.466 -10.200 1.00 0.50 N ATOM 1699 CA ASN A 107 3.031 -1.572 -11.442 1.00 0.56 C ATOM 1700 C ASN A 107 2.929 -0.231 -12.133 1.00 0.60 C ATOM 1701 O ASN A 107 3.618 0.054 -13.113 1.00 0.70 O ATOM 1702 CB ASN A 107 2.443 -2.671 -12.331 1.00 0.67 C ATOM 1703 CG ASN A 107 3.106 -2.734 -13.693 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.302 -2.473 -13.830 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.328 -3.076 -14.715 1.00 1.84 N ATOM 0 H ASN A 107 1.451 -2.016 -10.125 1.00 0.50 H new ATOM 0 HA ASN A 107 4.071 -1.836 -11.250 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.552 -3.634 -11.833 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.374 -2.498 -12.458 1.00 0.67 H new ATOM 0 HD21 ASN A 107 2.717 -3.130 -15.656 1.00 1.84 H new ATOM 0 HD22 ASN A 107 1.342 -3.284 -14.558 1.00 1.84 H new ATOM 1712 N GLY A 108 2.040 0.590 -11.580 1.00 0.56 N ATOM 1713 CA GLY A 108 1.838 1.929 -12.065 1.00 0.65 C ATOM 1714 C GLY A 108 2.004 2.937 -10.958 1.00 0.60 C ATOM 1715 O GLY A 108 3.101 3.343 -10.572 1.00 0.71 O ATOM 0 H GLY A 108 1.449 0.337 -10.788 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.549 2.141 -12.864 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.840 2.017 -12.495 1.00 0.65 H new ATOM 1719 N SER A 109 0.845 3.201 -10.383 1.00 0.53 N ATOM 1720 CA SER A 109 0.638 4.148 -9.296 1.00 0.64 C ATOM 1721 C SER A 109 -0.525 3.621 -8.466 1.00 0.54 C ATOM 1722 O SER A 109 -1.275 2.774 -8.943 1.00 0.54 O ATOM 1723 CB SER A 109 0.326 5.544 -9.838 1.00 0.93 C ATOM 1724 OG SER A 109 1.394 6.036 -10.631 1.00 1.50 O ATOM 0 H SER A 109 -0.019 2.742 -10.672 1.00 0.53 H new ATOM 0 HA SER A 109 1.539 4.239 -8.690 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.587 5.511 -10.433 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.141 6.226 -9.008 1.00 0.93 H new ATOM 0 HG SER A 109 1.168 6.929 -10.966 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.722 4.110 -7.254 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.792 3.554 -6.439 1.00 0.82 C ATOM 1732 C CYS A 110 -3.090 4.365 -6.543 1.00 0.66 C ATOM 1733 O CYS A 110 -3.237 5.380 -5.908 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.233 3.576 -5.013 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.414 3.876 -3.689 1.00 2.32 S ATOM 0 H CYS A 110 -0.181 4.860 -6.824 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.067 2.552 -6.767 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.745 2.620 -4.824 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.461 4.344 -4.961 1.00 1.35 H new ATOM 0 HG CYS A 110 -2.646 5.152 -3.595 1.00 2.32 H new ATOM 1741 N LYS A 111 -4.027 3.901 -7.377 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.315 4.549 -7.535 1.00 1.00 C ATOM 1743 C LYS A 111 -6.415 3.513 -7.689 1.00 0.75 C ATOM 1744 O LYS A 111 -6.538 2.967 -8.784 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.300 5.474 -8.749 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.847 4.814 -10.055 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.372 4.421 -10.036 1.00 2.18 C ATOM 1748 CE LYS A 111 -2.813 4.310 -11.446 1.00 3.01 C ATOM 1749 NZ LYS A 111 -3.005 5.568 -12.219 1.00 3.59 N ATOM 0 H LYS A 111 -3.906 3.069 -7.955 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.512 5.142 -6.642 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.302 5.879 -8.892 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.642 6.317 -8.537 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.453 3.927 -10.238 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -5.026 5.498 -10.884 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.803 5.162 -9.474 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.254 3.469 -9.519 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -1.750 4.072 -11.398 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.301 3.486 -11.966 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.296 5.621 -12.978 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -3.958 5.578 -12.634 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -2.895 6.385 -11.585 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.233 3.216 -6.710 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.292 2.272 -6.998 1.00 1.36 C ATOM 1765 C ARG A 112 -9.622 2.571 -6.319 1.00 1.14 C ATOM 1766 O ARG A 112 -9.886 2.084 -5.225 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.835 0.852 -6.692 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.583 0.459 -7.460 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.899 0.141 -8.914 1.00 4.09 C ATOM 1770 NE ARG A 112 -5.777 0.439 -9.801 1.00 4.81 N ATOM 1771 CZ ARG A 112 -5.774 0.168 -11.105 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -6.817 -0.430 -11.663 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -4.728 0.495 -11.852 1.00 6.59 N ATOM 0 H ARG A 112 -7.197 3.586 -5.760 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.492 2.378 -8.064 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.644 0.759 -5.623 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.638 0.156 -6.935 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.856 1.270 -7.413 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.123 -0.409 -6.988 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -7.162 -0.913 -9.005 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.771 0.715 -9.228 1.00 4.09 H new ATOM 0 HE ARG A 112 -4.949 0.879 -9.399 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -7.624 -0.684 -11.094 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -6.812 -0.636 -12.662 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -3.923 0.955 -11.428 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -4.729 0.286 -12.850 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.462 3.355 -6.967 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.800 3.549 -6.465 1.00 0.76 C ATOM 1789 C GLY A 113 -12.765 2.815 -7.364 1.00 0.77 C ATOM 1790 O GLY A 113 -13.324 1.789 -6.979 1.00 0.80 O ATOM 0 H GLY A 113 -10.243 3.858 -7.827 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.878 3.177 -5.443 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.043 4.611 -6.437 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.945 3.304 -8.603 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.824 2.664 -9.576 1.00 1.07 C ATOM 1796 C PRO A 114 -13.306 1.286 -9.976 1.00 0.90 C ATOM 1797 O PRO A 114 -14.028 0.502 -10.590 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.801 3.612 -10.784 1.00 1.40 C ATOM 1799 CG PRO A 114 -13.237 4.894 -10.271 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.319 4.521 -9.146 1.00 1.03 C ATOM 0 HA PRO A 114 -14.825 2.504 -9.176 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.188 3.207 -11.589 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.803 3.757 -11.188 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.697 5.424 -11.056 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -14.029 5.558 -9.924 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.305 4.332 -9.498 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.255 5.311 -8.398 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.048 0.989 -9.626 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.459 -0.293 -9.954 1.00 0.74 C ATOM 1810 C ARG A 115 -11.508 -1.230 -8.759 1.00 0.69 C ATOM 1811 O ARG A 115 -11.489 -2.451 -8.926 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.014 -0.120 -10.424 1.00 0.96 C ATOM 1813 CG ARG A 115 -9.891 0.380 -11.856 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.265 1.849 -11.977 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.101 2.341 -13.341 1.00 1.81 N ATOM 1816 CZ ARG A 115 -10.167 3.627 -13.676 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -10.386 4.548 -12.747 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.010 3.991 -14.940 1.00 2.62 N ATOM 0 H ARG A 115 -11.430 1.623 -9.119 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.041 -0.731 -10.765 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.507 0.580 -9.760 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.496 -1.075 -10.337 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -8.868 0.236 -12.204 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -10.535 -0.213 -12.505 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.300 1.987 -11.663 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -9.645 2.438 -11.301 1.00 1.63 H new ATOM 0 HE ARG A 115 -9.926 1.660 -14.080 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -10.504 4.271 -11.772 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -10.436 5.533 -13.007 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -9.839 3.285 -15.656 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -10.061 4.977 -15.197 1.00 2.62 H new ATOM 1832 N THR A 116 -11.575 -0.674 -7.544 1.00 0.61 N ATOM 1833 CA THR A 116 -11.630 -1.516 -6.365 1.00 0.75 C ATOM 1834 C THR A 116 -12.927 -2.302 -6.336 1.00 0.85 C ATOM 1835 O THR A 116 -14.016 -1.771 -6.120 1.00 1.23 O ATOM 1836 CB THR A 116 -11.413 -0.735 -5.081 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.914 0.599 -5.212 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.926 -0.721 -4.756 1.00 1.13 C ATOM 0 H THR A 116 -11.592 0.330 -7.363 1.00 0.61 H new ATOM 0 HA THR A 116 -10.803 -2.223 -6.428 1.00 0.75 H new ATOM 0 HB THR A 116 -11.957 -1.215 -4.268 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.206 1.238 -4.985 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.760 -0.162 -3.835 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.572 -1.744 -4.629 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.380 -0.247 -5.571 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.731 -3.588 -6.543 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.760 -4.605 -6.685 1.00 0.77 C ATOM 1848 C HIS A 117 -13.084 -5.599 -7.598 1.00 0.68 C ATOM 1849 O HIS A 117 -11.905 -5.383 -7.910 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.045 -4.058 -7.325 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.191 -5.025 -7.312 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.973 -5.249 -6.199 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.691 -5.822 -8.287 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.903 -6.142 -6.489 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.754 -6.505 -7.749 1.00 2.85 N ATOM 0 H HIS A 117 -11.792 -3.978 -6.622 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.090 -5.015 -5.731 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.343 -3.150 -6.800 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.833 -3.775 -8.356 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.322 -5.905 -9.299 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -18.657 -6.512 -5.810 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.334 -7.183 -8.243 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.713 -6.661 -8.064 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.918 -7.494 -8.934 1.00 0.69 C ATOM 1866 C TYR A 118 -12.949 -6.850 -10.308 1.00 0.68 C ATOM 1867 O TYR A 118 -13.689 -7.233 -11.215 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.481 -8.916 -8.991 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.529 -9.925 -9.594 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -12.361 -10.011 -10.970 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -11.799 -10.791 -8.788 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -11.492 -10.930 -11.527 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -10.928 -11.712 -9.336 1.00 3.13 C ATOM 1874 CZ TYR A 118 -10.778 -11.782 -10.698 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.910 -12.693 -11.257 1.00 4.11 O ATOM 0 H TYR A 118 -14.675 -6.947 -7.879 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.896 -7.573 -8.564 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.742 -9.234 -7.982 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.404 -8.909 -9.571 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -12.919 -9.349 -11.615 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -11.915 -10.743 -7.715 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -11.370 -10.984 -12.599 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -10.367 -12.375 -8.694 1.00 3.13 H new ATOM 0 HH TYR A 118 -9.484 -13.217 -10.547 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.092 -5.830 -10.395 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.870 -5.054 -11.585 1.00 0.65 C ATOM 1887 C GLY A 119 -10.461 -5.242 -12.075 1.00 0.65 C ATOM 1888 O GLY A 119 -10.205 -5.469 -13.257 1.00 0.73 O ATOM 0 H GLY A 119 -11.523 -5.524 -9.606 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.575 -5.354 -12.360 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.053 -3.999 -11.379 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.541 -5.138 -11.108 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.110 -5.232 -11.373 1.00 0.64 C ATOM 1894 C GLN A 120 -7.368 -6.020 -10.291 1.00 0.62 C ATOM 1895 O GLN A 120 -7.767 -6.041 -9.126 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.516 -3.822 -11.462 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.266 -3.351 -12.888 1.00 1.05 C ATOM 1898 CD GLN A 120 -5.923 -3.798 -13.437 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.446 -4.952 -12.985 1.00 2.19 O flip ATOM 1900 NE2 GLN A 120 -5.322 -3.112 -14.264 1.00 2.13 N flip ATOM 0 H GLN A 120 -9.772 -4.987 -10.126 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.986 -5.765 -12.316 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.191 -3.121 -10.971 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.576 -3.798 -10.911 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.059 -3.729 -13.533 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.321 -2.263 -12.920 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -5.724 -2.231 -14.585 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -4.422 -3.424 -14.628 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.267 -6.650 -10.698 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.430 -7.435 -9.796 1.00 0.78 C ATOM 1911 C LYS A 121 -4.549 -6.531 -8.955 1.00 0.70 C ATOM 1912 O LYS A 121 -3.725 -7.002 -8.170 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.572 -8.406 -10.602 1.00 1.06 C ATOM 1914 CG LYS A 121 -3.760 -7.735 -11.700 1.00 1.43 C ATOM 1915 CD LYS A 121 -3.100 -8.761 -12.606 1.00 1.94 C ATOM 1916 CE LYS A 121 -2.218 -8.101 -13.653 1.00 2.28 C ATOM 1917 NZ LYS A 121 -3.015 -7.353 -14.665 1.00 2.85 N ATOM 0 H LYS A 121 -5.932 -6.630 -11.661 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.077 -8.000 -9.124 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.893 -8.925 -9.926 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -5.217 -9.162 -11.049 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.409 -7.089 -12.291 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -2.997 -7.098 -11.253 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -2.501 -9.446 -12.005 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -3.867 -9.357 -13.100 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -1.523 -7.419 -13.163 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -1.619 -8.862 -14.154 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -2.380 -6.976 -15.397 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -3.708 -7.993 -15.103 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -3.515 -6.567 -14.202 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.719 -5.229 -9.136 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.967 -4.251 -8.366 1.00 0.72 C ATOM 1933 C ALA A 122 -4.365 -4.348 -6.900 1.00 0.54 C ATOM 1934 O ALA A 122 -3.782 -3.696 -6.030 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.218 -2.849 -8.899 1.00 0.92 C ATOM 0 H ALA A 122 -5.371 -4.826 -9.809 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.901 -4.461 -8.460 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.648 -2.129 -8.312 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.906 -2.795 -9.942 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.280 -2.617 -8.826 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.389 -5.161 -6.649 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.895 -5.383 -5.305 1.00 0.44 C ATOM 1943 C ILE A 123 -5.193 -6.572 -4.641 1.00 0.40 C ATOM 1944 O ILE A 123 -5.498 -6.931 -3.500 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.419 -5.613 -5.342 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.079 -4.497 -6.155 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.001 -5.663 -3.933 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.580 -4.622 -6.263 1.00 1.37 C ATOM 0 H ILE A 123 -5.887 -5.681 -7.372 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.685 -4.493 -4.711 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.619 -6.574 -5.815 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.836 -3.537 -5.699 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.652 -4.491 -7.158 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.077 -5.826 -3.989 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.539 -6.479 -3.377 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.803 -4.720 -3.424 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.972 -3.794 -6.854 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.833 -5.565 -6.747 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -10.020 -4.597 -5.266 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.244 -7.181 -5.360 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.481 -8.307 -4.812 1.00 0.43 C ATOM 1962 C LEU A 124 -2.174 -7.798 -4.213 1.00 0.37 C ATOM 1963 O LEU A 124 -1.239 -7.455 -4.941 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.199 -9.353 -5.894 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.350 -10.320 -6.181 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.516 -9.592 -6.832 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -3.873 -11.465 -7.059 1.00 1.83 C ATOM 0 H LEU A 124 -3.988 -6.917 -6.311 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.073 -8.783 -4.030 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.941 -8.836 -6.818 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.324 -9.932 -5.598 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.697 -10.733 -5.234 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.323 -10.299 -7.027 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -5.874 -8.808 -6.165 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.188 -9.147 -7.772 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -4.703 -12.144 -7.254 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -3.499 -11.068 -8.003 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -3.074 -12.005 -6.551 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.108 -7.772 -2.878 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.940 -7.247 -2.180 1.00 0.45 C ATOM 1981 C PHE A 125 0.040 -8.309 -1.693 1.00 0.36 C ATOM 1982 O PHE A 125 -0.351 -9.378 -1.223 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.395 -6.422 -0.972 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.333 -5.285 -1.289 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.611 -5.536 -1.767 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.935 -3.970 -1.124 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.470 -4.497 -2.071 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.789 -2.927 -1.424 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.068 -3.185 -1.850 1.00 0.85 C ATOM 0 H PHE A 125 -2.850 -8.108 -2.264 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.408 -6.642 -2.915 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -1.884 -7.088 -0.261 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.513 -6.017 -0.476 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -3.939 -6.556 -1.903 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.943 -3.756 -0.755 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.449 -4.703 -2.478 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.450 -1.907 -1.323 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.759 -2.372 -2.013 1.00 0.85 H new ATOM 1999 N LEU A 126 1.332 -7.980 -1.817 1.00 0.36 N ATOM 2000 CA LEU A 126 2.406 -8.834 -1.337 1.00 0.49 C ATOM 2001 C LEU A 126 3.397 -7.956 -0.577 1.00 0.48 C ATOM 2002 O LEU A 126 4.000 -7.057 -1.163 1.00 0.49 O ATOM 2003 CB LEU A 126 3.112 -9.548 -2.495 1.00 0.68 C ATOM 2004 CG LEU A 126 2.258 -10.569 -3.249 1.00 1.22 C ATOM 2005 CD1 LEU A 126 1.479 -9.891 -4.364 1.00 1.98 C ATOM 2006 CD2 LEU A 126 3.131 -11.686 -3.801 1.00 1.96 C ATOM 0 H LEU A 126 1.653 -7.115 -2.253 1.00 0.36 H new ATOM 0 HA LEU A 126 1.995 -9.606 -0.686 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.463 -8.798 -3.204 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.995 -10.054 -2.104 1.00 0.68 H new ATOM 0 HG LEU A 126 1.543 -11.007 -2.552 1.00 1.22 H new ATOM 0 HD11 LEU A 126 0.877 -10.632 -4.890 1.00 1.98 H new ATOM 0 HD12 LEU A 126 0.826 -9.128 -3.940 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.174 -9.426 -5.063 1.00 1.98 H new ATOM 0 HD21 LEU A 126 2.509 -12.404 -4.335 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.869 -11.267 -4.485 1.00 1.96 H new ATOM 0 HD23 LEU A 126 3.642 -12.188 -2.979 1.00 1.96 H new ATOM 2018 N PRO A 127 3.586 -8.193 0.733 1.00 0.54 N ATOM 2019 CA PRO A 127 4.477 -7.394 1.551 1.00 0.55 C ATOM 2020 C PRO A 127 5.781 -8.095 1.904 1.00 0.53 C ATOM 2021 O PRO A 127 5.780 -9.207 2.435 1.00 0.66 O ATOM 2022 CB PRO A 127 3.627 -7.229 2.806 1.00 0.72 C ATOM 2023 CG PRO A 127 2.871 -8.526 2.927 1.00 0.81 C ATOM 2024 CD PRO A 127 2.891 -9.185 1.561 1.00 0.68 C ATOM 0 HA PRO A 127 4.797 -6.478 1.054 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.247 -7.049 3.684 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.948 -6.381 2.716 1.00 0.72 H new ATOM 0 HG2 PRO A 127 3.333 -9.173 3.673 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.846 -8.345 3.252 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.419 -10.138 1.579 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.885 -9.385 1.193 1.00 0.68 H new ATOM 2032 N LEU A 128 6.895 -7.436 1.604 1.00 0.44 N ATOM 2033 CA LEU A 128 8.211 -7.991 1.917 1.00 0.46 C ATOM 2034 C LEU A 128 9.114 -6.921 2.539 1.00 0.39 C ATOM 2035 O LEU A 128 9.327 -5.873 1.942 1.00 0.39 O ATOM 2036 CB LEU A 128 8.863 -8.567 0.656 1.00 0.56 C ATOM 2037 CG LEU A 128 8.170 -9.800 0.071 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.874 -10.257 -1.197 1.00 1.34 C ATOM 2039 CD2 LEU A 128 8.133 -10.929 1.093 1.00 1.47 C ATOM 0 H LEU A 128 6.916 -6.524 1.148 1.00 0.44 H new ATOM 0 HA LEU A 128 8.079 -8.796 2.640 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.891 -7.789 -0.107 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.897 -8.825 0.886 1.00 0.56 H new ATOM 0 HG LEU A 128 7.145 -9.528 -0.181 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.367 -11.135 -1.598 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.851 -9.455 -1.935 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.909 -10.509 -0.968 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.637 -11.797 0.659 1.00 1.47 H new ATOM 0 HD22 LEU A 128 9.151 -11.197 1.376 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.585 -10.602 1.977 1.00 1.47 H new ATOM 2051 N PRO A 129 9.673 -7.168 3.742 1.00 0.41 N ATOM 2052 CA PRO A 129 10.540 -6.198 4.417 1.00 0.40 C ATOM 2053 C PRO A 129 11.987 -6.289 3.952 1.00 0.48 C ATOM 2054 O PRO A 129 12.369 -7.245 3.277 1.00 0.55 O ATOM 2055 CB PRO A 129 10.411 -6.600 5.881 1.00 0.48 C ATOM 2056 CG PRO A 129 10.206 -8.078 5.847 1.00 0.68 C ATOM 2057 CD PRO A 129 9.494 -8.392 4.551 1.00 0.53 C ATOM 0 HA PRO A 129 10.253 -5.166 4.213 1.00 0.40 H new ATOM 0 HB2 PRO A 129 11.306 -6.336 6.445 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.572 -6.094 6.359 1.00 0.48 H new ATOM 0 HG2 PRO A 129 11.160 -8.602 5.900 1.00 0.68 H new ATOM 0 HG3 PRO A 129 9.615 -8.406 6.702 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.926 -9.263 4.059 1.00 0.53 H new ATOM 0 HD3 PRO A 129 8.439 -8.610 4.717 1.00 0.53 H new ATOM 2065 N VAL A 130 12.795 -5.289 4.315 1.00 0.56 N ATOM 2066 CA VAL A 130 14.197 -5.273 3.900 1.00 0.76 C ATOM 2067 C VAL A 130 14.933 -6.511 4.391 1.00 0.97 C ATOM 2068 O VAL A 130 14.779 -6.932 5.537 1.00 1.03 O ATOM 2069 CB VAL A 130 14.952 -4.028 4.397 1.00 0.93 C ATOM 2070 CG1 VAL A 130 16.000 -3.604 3.380 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.993 -2.884 4.695 1.00 1.36 C ATOM 0 H VAL A 130 12.508 -4.494 4.885 1.00 0.56 H new ATOM 0 HA VAL A 130 14.179 -5.255 2.810 1.00 0.76 H new ATOM 0 HB VAL A 130 15.457 -4.287 5.328 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.526 -2.722 3.746 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.712 -4.416 3.232 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.514 -3.370 2.433 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.556 -2.019 5.044 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.448 -2.621 3.789 1.00 1.36 H new ATOM 0 HG23 VAL A 130 13.287 -3.193 5.466 1.00 1.36 H new ATOM 2081 N SER A 131 15.737 -7.086 3.506 1.00 1.27 N ATOM 2082 CA SER A 131 16.510 -8.282 3.824 1.00 1.65 C ATOM 2083 C SER A 131 18.000 -7.959 3.894 1.00 1.86 C ATOM 2084 O SER A 131 18.511 -7.169 3.099 1.00 1.88 O ATOM 2085 CB SER A 131 16.258 -9.372 2.779 1.00 2.07 C ATOM 2086 OG SER A 131 17.025 -10.532 3.057 1.00 2.32 O ATOM 0 H SER A 131 15.872 -6.741 2.556 1.00 1.27 H new ATOM 0 HA SER A 131 16.188 -8.646 4.800 1.00 1.65 H new ATOM 0 HB2 SER A 131 15.199 -9.628 2.764 1.00 2.07 H new ATOM 0 HB3 SER A 131 16.509 -8.995 1.788 1.00 2.07 H new ATOM 0 HG SER A 131 16.845 -11.214 2.377 1.00 2.32 H new ATOM 2092 N SER A 132 18.693 -8.575 4.846 1.00 2.21 N ATOM 2093 CA SER A 132 20.124 -8.349 5.014 1.00 2.54 C ATOM 2094 C SER A 132 20.934 -9.469 4.368 1.00 3.02 C ATOM 2095 O SER A 132 21.089 -10.547 4.942 1.00 3.59 O ATOM 2096 CB SER A 132 20.475 -8.242 6.499 1.00 2.98 C ATOM 2097 OG SER A 132 20.079 -9.407 7.203 1.00 2.97 O ATOM 0 H SER A 132 18.288 -9.233 5.512 1.00 2.21 H new ATOM 0 HA SER A 132 20.377 -7.411 4.519 1.00 2.54 H new ATOM 0 HB2 SER A 132 21.549 -8.093 6.612 1.00 2.98 H new ATOM 0 HB3 SER A 132 19.985 -7.369 6.930 1.00 2.98 H new ATOM 0 HG SER A 132 20.388 -10.202 6.720 1.00 2.97 H new ATOM 2103 N ASP A 133 21.448 -9.207 3.169 1.00 3.06 N ATOM 2104 CA ASP A 133 22.245 -10.191 2.446 1.00 3.74 C ATOM 2105 C ASP A 133 23.726 -10.034 2.772 1.00 3.96 C ATOM 2106 O ASP A 133 24.239 -10.831 3.586 1.00 4.33 O ATOM 2107 CB ASP A 133 22.025 -10.053 0.938 1.00 3.99 C ATOM 2108 CG ASP A 133 22.858 -11.037 0.140 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.502 -12.234 0.118 1.00 5.12 O ATOM 2110 OD2 ASP A 133 23.862 -10.609 -0.465 1.00 5.00 O ATOM 2111 OXT ASP A 133 24.362 -9.115 2.214 1.00 4.10 O ATOM 0 H ASP A 133 21.326 -8.321 2.678 1.00 3.06 H new ATOM 0 HA ASP A 133 21.924 -11.184 2.761 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.970 -10.207 0.712 1.00 3.99 H new ATOM 0 HB3 ASP A 133 22.272 -9.037 0.629 1.00 3.99 H new TER 2116 ASP A 133