USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1111 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 91 THR OG1 : rot -30:sc= 0.801 USER MOD Set 1.2: A 93 CYS SG : rot 84:sc= -2.01 USER MOD Set 2.1: A 69 GLN : amide:sc= -1.79! K(o=-2.2!,f=-3.4) USER MOD Set 2.2: A 86 SER OG : rot -60:sc= -0.363 USER MOD Set 3.1: A 82 LYS NZ :NH3+ 174:sc= 0.113 (180deg=0.105) USER MOD Set 3.2: A 84 TYR OH : rot 29:sc= 0.366 USER MOD Set 4.1: A 45 GLN : amide:sc= 0.407 X(o=0.84,f=1) USER MOD Set 4.2: A 111 SER OG : rot -87:sc= 0.434 USER MOD Set 5.1: A 44 HIS : no HE2:sc= -0.573 K(o=-2.2,f=-5.3!) USER MOD Set 5.2: A 46 GLN :FLIP amide:sc= -1.64! F(o=-2.7,f=-2.2!) USER MOD Set 6.1: A 10 HIS : no HE2:sc= 0.739 K(o=1.7,f=-3.1) USER MOD Set 6.2: A 12 GLN :FLIP amide:sc= 1.01 F(o=0.51,f=1.7) USER MOD Set 7.1: A 9 SER OG : rot 169:sc= 0 USER MOD Set 7.2: A 11 MET CE :methyl -150:sc=-0.000706 (180deg=-0.397) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0718 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ 134:sc= 1.26 (180deg=0.575) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00315 X(o=-0.0031,f=-0.0031) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 17 SER OG : rot 52:sc= 0.193 USER MOD Single : A 21 MET CE :methyl -171:sc= -0.0229 (180deg=-0.134) USER MOD Single : A 25 ASN : amide:sc= 0.124 K(o=0.12,f=-2.1!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 36 THR OG1 : rot 79:sc= 0.962 USER MOD Single : A 39 SER OG : rot -5:sc= 0.327 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.9!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0693 K(o=-0.069,f=-2.8!) USER MOD Single : A 67 ASN :FLIP amide:sc= 0.478 F(o=-0.37,f=0.48) USER MOD Single : A 70 THR OG1 : rot 120:sc= -0.0239 USER MOD Single : A 73 MET CE :methyl -165:sc= -0.0277 (180deg=-0.304) USER MOD Single : A 74 SER OG : rot 77:sc= 0.797 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 THR OG1 : rot 151:sc= -0.362 USER MOD Single : A 105 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.82) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -178:sc= -0.0139 (180deg=-0.0192) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.369 F(o=-1,f=-0.37) USER MOD Single : A 113 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.0864) USER MOD Single : A 114 GLN : amide:sc= -1.54 K(o=-1.5,f=-5.7!) USER MOD Single : A 115 ASN :FLIP amide:sc= 0.317 F(o=-5.5!,f=0.32) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 123 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.6) USER MOD Single : A 124 SER OG : rot 91:sc= 1.18 USER MOD Single : A 127 SER OG : rot 5:sc= 0.79 USER MOD Single : A 131 THR OG1 : rot 72:sc= 0.738 USER MOD Single : A 135 THR OG1 : rot -27:sc= 0.0614 USER MOD Single : A 140 LYS NZ :NH3+ -139:sc= -0.91 (180deg=-3.09!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -50.463 40.335 -3.778 1.00 71.21 N ATOM 2 CA MET A 1 -49.007 40.616 -3.868 1.00 63.24 C ATOM 3 C MET A 1 -48.260 39.344 -4.313 1.00 3.22 C ATOM 4 O MET A 1 -48.785 38.228 -4.174 1.00 51.10 O ATOM 5 CB MET A 1 -48.450 41.131 -2.513 1.00 64.32 C ATOM 6 CG MET A 1 -49.110 42.421 -1.997 1.00 24.44 C ATOM 7 SD MET A 1 -50.845 42.203 -1.529 1.00 53.33 S ATOM 8 CE MET A 1 -50.716 41.067 -0.146 1.00 0.44 C ATOM 0 H1 MET A 1 -50.837 40.722 -2.888 1.00 71.21 H new ATOM 0 H2 MET A 1 -50.952 40.778 -4.581 1.00 71.21 H new ATOM 0 H3 MET A 1 -50.620 39.307 -3.801 1.00 71.21 H new ATOM 0 HA MET A 1 -48.850 41.401 -4.608 1.00 63.24 H new ATOM 0 HB2 MET A 1 -48.575 40.350 -1.763 1.00 64.32 H new ATOM 0 HB3 MET A 1 -47.379 41.304 -2.618 1.00 64.32 H new ATOM 0 HG2 MET A 1 -48.552 42.786 -1.135 1.00 24.44 H new ATOM 0 HG3 MET A 1 -49.043 43.188 -2.768 1.00 24.44 H new ATOM 0 HE1 MET A 1 -51.652 41.066 0.413 1.00 0.44 H new ATOM 0 HE2 MET A 1 -50.515 40.062 -0.518 1.00 0.44 H new ATOM 0 HE3 MET A 1 -49.903 41.381 0.508 1.00 0.44 H new ATOM 20 N GLY A 2 -47.034 39.526 -4.840 1.00 54.20 N ATOM 21 CA GLY A 2 -46.210 38.417 -5.347 1.00 2.43 C ATOM 22 C GLY A 2 -44.832 38.398 -4.700 1.00 0.52 C ATOM 23 O GLY A 2 -44.115 39.409 -4.753 1.00 43.14 O ATOM 0 H GLY A 2 -46.591 40.441 -4.925 1.00 54.20 H new ATOM 0 HA2 GLY A 2 -46.715 37.471 -5.155 1.00 2.43 H new ATOM 0 HA3 GLY A 2 -46.103 38.507 -6.428 1.00 2.43 H new ATOM 27 N HIS A 3 -44.458 37.252 -4.081 1.00 10.42 N ATOM 28 CA HIS A 3 -43.153 37.103 -3.417 1.00 60.44 C ATOM 29 C HIS A 3 -42.020 37.021 -4.453 1.00 75.53 C ATOM 30 O HIS A 3 -42.169 36.384 -5.505 1.00 32.32 O ATOM 31 CB HIS A 3 -43.122 35.870 -2.457 1.00 22.41 C ATOM 32 CG HIS A 3 -43.171 34.495 -3.097 1.00 61.11 C ATOM 33 ND1 HIS A 3 -44.328 33.757 -3.226 1.00 51.21 N ATOM 34 CD2 HIS A 3 -42.182 33.708 -3.597 1.00 1.11 C ATOM 35 CE1 HIS A 3 -44.043 32.589 -3.770 1.00 60.12 C ATOM 36 NE2 HIS A 3 -42.752 32.536 -4.005 1.00 55.14 N ATOM 0 H HIS A 3 -45.047 36.420 -4.031 1.00 10.42 H new ATOM 0 HA HIS A 3 -42.997 37.991 -2.805 1.00 60.44 H new ATOM 0 HB2 HIS A 3 -42.214 35.932 -1.856 1.00 22.41 H new ATOM 0 HB3 HIS A 3 -43.965 35.954 -1.771 1.00 22.41 H new ATOM 0 HD2 HIS A 3 -41.135 33.963 -3.660 1.00 1.11 H new ATOM 0 HE1 HIS A 3 -44.754 31.806 -3.986 1.00 60.12 H new ATOM 0 HE2 HIS A 3 -42.256 31.749 -4.424 1.00 55.14 H new ATOM 45 N HIS A 4 -40.900 37.679 -4.146 1.00 3.20 N ATOM 46 CA HIS A 4 -39.694 37.639 -4.967 1.00 51.14 C ATOM 47 C HIS A 4 -38.462 37.791 -4.055 1.00 60.13 C ATOM 48 O HIS A 4 -38.330 38.783 -3.335 1.00 75.00 O ATOM 49 CB HIS A 4 -39.738 38.714 -6.097 1.00 0.20 C ATOM 50 CG HIS A 4 -39.795 40.158 -5.656 1.00 72.55 C ATOM 51 ND1 HIS A 4 -40.974 40.818 -5.391 1.00 72.42 N ATOM 52 CD2 HIS A 4 -38.810 41.081 -5.481 1.00 22.45 C ATOM 53 CE1 HIS A 4 -40.711 42.072 -5.076 1.00 64.31 C ATOM 54 NE2 HIS A 4 -39.410 42.257 -5.121 1.00 3.13 N ATOM 0 H HIS A 4 -40.807 38.259 -3.312 1.00 3.20 H new ATOM 0 HA HIS A 4 -39.629 36.677 -5.475 1.00 51.14 H new ATOM 0 HB2 HIS A 4 -38.857 38.584 -6.725 1.00 0.20 H new ATOM 0 HB3 HIS A 4 -40.608 38.515 -6.723 1.00 0.20 H new ATOM 0 HD2 HIS A 4 -37.750 40.916 -5.604 1.00 22.45 H new ATOM 0 HE1 HIS A 4 -41.444 42.823 -4.823 1.00 64.31 H new ATOM 0 HE2 HIS A 4 -38.927 43.133 -4.921 1.00 3.13 H new ATOM 63 N HIS A 5 -37.608 36.753 -4.043 1.00 11.15 N ATOM 64 CA HIS A 5 -36.349 36.712 -3.270 1.00 44.02 C ATOM 65 C HIS A 5 -35.342 35.883 -4.089 1.00 65.51 C ATOM 66 O HIS A 5 -35.106 34.707 -3.789 1.00 4.11 O ATOM 67 CB HIS A 5 -36.543 36.084 -1.847 1.00 70.01 C ATOM 68 CG HIS A 5 -37.308 36.916 -0.848 1.00 62.32 C ATOM 69 ND1 HIS A 5 -36.693 37.718 0.087 1.00 61.15 N ATOM 70 CD2 HIS A 5 -38.639 37.022 -0.605 1.00 33.03 C ATOM 71 CE1 HIS A 5 -37.607 38.272 0.856 1.00 44.01 C ATOM 72 NE2 HIS A 5 -38.791 37.869 0.460 1.00 34.25 N ATOM 0 H HIS A 5 -37.774 35.902 -4.580 1.00 11.15 H new ATOM 0 HA HIS A 5 -35.990 37.728 -3.106 1.00 44.02 H new ATOM 0 HB2 HIS A 5 -37.056 35.129 -1.961 1.00 70.01 H new ATOM 0 HB3 HIS A 5 -35.559 35.869 -1.431 1.00 70.01 H new ATOM 0 HD2 HIS A 5 -39.431 36.530 -1.150 1.00 33.03 H new ATOM 0 HE1 HIS A 5 -37.414 38.947 1.677 1.00 44.01 H new ATOM 0 HE2 HIS A 5 -39.680 38.142 0.878 1.00 34.25 H new ATOM 81 N HIS A 6 -34.805 36.496 -5.160 1.00 72.35 N ATOM 82 CA HIS A 6 -33.968 35.800 -6.163 1.00 34.10 C ATOM 83 C HIS A 6 -32.609 35.369 -5.564 1.00 54.03 C ATOM 84 O HIS A 6 -31.645 36.144 -5.537 1.00 33.45 O ATOM 85 CB HIS A 6 -33.774 36.706 -7.411 1.00 50.33 C ATOM 86 CG HIS A 6 -33.068 36.048 -8.575 1.00 53.21 C ATOM 87 ND1 HIS A 6 -31.700 36.063 -8.730 1.00 25.41 N ATOM 88 CD2 HIS A 6 -33.552 35.385 -9.653 1.00 62.00 C ATOM 89 CE1 HIS A 6 -31.376 35.449 -9.849 1.00 12.02 C ATOM 90 NE2 HIS A 6 -32.480 35.026 -10.425 1.00 51.31 N ATOM 0 H HIS A 6 -34.937 37.488 -5.357 1.00 72.35 H new ATOM 0 HA HIS A 6 -34.483 34.890 -6.471 1.00 34.10 H new ATOM 0 HB2 HIS A 6 -34.752 37.051 -7.747 1.00 50.33 H new ATOM 0 HB3 HIS A 6 -33.209 37.590 -7.115 1.00 50.33 H new ATOM 0 HD2 HIS A 6 -34.591 35.178 -9.864 1.00 62.00 H new ATOM 0 HE1 HIS A 6 -30.374 35.316 -10.229 1.00 12.02 H new ATOM 0 HE2 HIS A 6 -32.530 34.513 -11.305 1.00 51.31 H new ATOM 99 N HIS A 7 -32.580 34.138 -5.028 1.00 2.43 N ATOM 100 CA HIS A 7 -31.361 33.480 -4.503 1.00 54.40 C ATOM 101 C HIS A 7 -31.180 32.096 -5.156 1.00 65.34 C ATOM 102 O HIS A 7 -30.385 31.278 -4.673 1.00 4.15 O ATOM 103 CB HIS A 7 -31.430 33.334 -2.954 1.00 23.33 C ATOM 104 CG HIS A 7 -31.384 34.635 -2.202 1.00 44.34 C ATOM 105 ND1 HIS A 7 -30.206 35.301 -1.945 1.00 23.43 N ATOM 106 CD2 HIS A 7 -32.368 35.380 -1.639 1.00 73.44 C ATOM 107 CE1 HIS A 7 -30.465 36.394 -1.259 1.00 2.40 C ATOM 108 NE2 HIS A 7 -31.766 36.466 -1.062 1.00 51.21 N ATOM 0 H HIS A 7 -33.415 33.558 -4.944 1.00 2.43 H new ATOM 0 HA HIS A 7 -30.504 34.106 -4.750 1.00 54.40 H new ATOM 0 HB2 HIS A 7 -32.349 32.810 -2.692 1.00 23.33 H new ATOM 0 HB3 HIS A 7 -30.601 32.708 -2.623 1.00 23.33 H new ATOM 0 HD2 HIS A 7 -33.425 35.159 -1.645 1.00 73.44 H new ATOM 0 HE1 HIS A 7 -29.734 37.111 -0.915 1.00 2.40 H new ATOM 0 HE2 HIS A 7 -32.248 37.212 -0.560 1.00 51.21 H new ATOM 117 N HIS A 8 -31.916 31.853 -6.265 1.00 73.41 N ATOM 118 CA HIS A 8 -31.850 30.591 -7.024 1.00 30.53 C ATOM 119 C HIS A 8 -30.475 30.452 -7.723 1.00 44.42 C ATOM 120 O HIS A 8 -30.292 30.888 -8.870 1.00 32.20 O ATOM 121 CB HIS A 8 -33.022 30.526 -8.036 1.00 51.25 C ATOM 122 CG HIS A 8 -33.044 29.292 -8.900 1.00 14.41 C ATOM 123 ND1 HIS A 8 -32.553 29.281 -10.184 1.00 14.32 N ATOM 124 CD2 HIS A 8 -33.510 28.041 -8.668 1.00 55.35 C ATOM 125 CE1 HIS A 8 -32.710 28.085 -10.703 1.00 73.21 C ATOM 126 NE2 HIS A 8 -33.286 27.311 -9.806 1.00 54.23 N ATOM 0 H HIS A 8 -32.572 32.530 -6.656 1.00 73.41 H new ATOM 0 HA HIS A 8 -31.951 29.749 -6.339 1.00 30.53 H new ATOM 0 HB2 HIS A 8 -33.962 30.584 -7.486 1.00 51.25 H new ATOM 0 HB3 HIS A 8 -32.975 31.403 -8.681 1.00 51.25 H new ATOM 0 HD2 HIS A 8 -33.971 27.686 -7.758 1.00 55.35 H new ATOM 0 HE1 HIS A 8 -32.416 27.786 -11.698 1.00 73.21 H new ATOM 0 HE2 HIS A 8 -33.526 26.328 -9.937 1.00 54.23 H new ATOM 135 N SER A 9 -29.513 29.878 -6.975 1.00 51.21 N ATOM 136 CA SER A 9 -28.122 29.687 -7.407 1.00 45.05 C ATOM 137 C SER A 9 -27.379 28.897 -6.310 1.00 72.21 C ATOM 138 O SER A 9 -27.302 29.357 -5.165 1.00 12.35 O ATOM 139 CB SER A 9 -27.430 31.054 -7.644 1.00 64.32 C ATOM 140 OG SER A 9 -26.134 30.906 -8.192 1.00 14.32 O ATOM 0 H SER A 9 -29.689 29.528 -6.033 1.00 51.21 H new ATOM 0 HA SER A 9 -28.101 29.136 -8.347 1.00 45.05 H new ATOM 0 HB2 SER A 9 -28.041 31.657 -8.316 1.00 64.32 H new ATOM 0 HB3 SER A 9 -27.365 31.595 -6.700 1.00 64.32 H new ATOM 0 HG SER A 9 -25.803 31.779 -8.490 1.00 14.32 H new ATOM 146 N HIS A 10 -26.857 27.710 -6.650 1.00 75.42 N ATOM 147 CA HIS A 10 -26.156 26.840 -5.687 1.00 62.04 C ATOM 148 C HIS A 10 -24.713 27.343 -5.472 1.00 52.13 C ATOM 149 O HIS A 10 -23.795 26.967 -6.204 1.00 71.00 O ATOM 150 CB HIS A 10 -26.177 25.369 -6.175 1.00 43.14 C ATOM 151 CG HIS A 10 -25.590 24.389 -5.186 1.00 65.20 C ATOM 152 ND1 HIS A 10 -26.311 23.837 -4.150 1.00 3.12 N ATOM 153 CD2 HIS A 10 -24.343 23.878 -5.077 1.00 3.12 C ATOM 154 CE1 HIS A 10 -25.534 23.038 -3.450 1.00 61.31 C ATOM 155 NE2 HIS A 10 -24.340 23.046 -3.991 1.00 10.21 N ATOM 0 H HIS A 10 -26.907 27.325 -7.593 1.00 75.42 H new ATOM 0 HA HIS A 10 -26.673 26.879 -4.728 1.00 62.04 H new ATOM 0 HB2 HIS A 10 -27.206 25.082 -6.389 1.00 43.14 H new ATOM 0 HB3 HIS A 10 -25.625 25.299 -7.112 1.00 43.14 H new ATOM 0 HD1 HIS A 10 -27.296 24.019 -3.955 1.00 3.12 H new ATOM 0 HD2 HIS A 10 -23.506 24.088 -5.726 1.00 3.12 H new ATOM 0 HE1 HIS A 10 -25.830 22.472 -2.579 1.00 61.31 H new ATOM 164 N MET A 11 -24.547 28.224 -4.481 1.00 10.43 N ATOM 165 CA MET A 11 -23.252 28.844 -4.146 1.00 41.24 C ATOM 166 C MET A 11 -22.367 27.859 -3.348 1.00 41.11 C ATOM 167 O MET A 11 -22.391 27.854 -2.110 1.00 21.21 O ATOM 168 CB MET A 11 -23.486 30.163 -3.346 1.00 12.31 C ATOM 169 CG MET A 11 -24.232 31.257 -4.121 1.00 31.23 C ATOM 170 SD MET A 11 -23.373 31.744 -5.634 1.00 73.32 S ATOM 171 CE MET A 11 -24.477 33.000 -6.284 1.00 60.52 C ATOM 0 H MET A 11 -25.312 28.533 -3.881 1.00 10.43 H new ATOM 0 HA MET A 11 -22.727 29.089 -5.069 1.00 41.24 H new ATOM 0 HB2 MET A 11 -24.048 29.929 -2.442 1.00 12.31 H new ATOM 0 HB3 MET A 11 -22.520 30.556 -3.028 1.00 12.31 H new ATOM 0 HG2 MET A 11 -25.231 30.902 -4.373 1.00 31.23 H new ATOM 0 HG3 MET A 11 -24.356 32.130 -3.481 1.00 31.23 H new ATOM 0 HE1 MET A 11 -24.414 33.012 -7.372 1.00 60.52 H new ATOM 0 HE2 MET A 11 -25.500 32.776 -5.982 1.00 60.52 H new ATOM 0 HE3 MET A 11 -24.188 33.976 -5.893 1.00 60.52 H new ATOM 181 N GLN A 12 -21.631 26.993 -4.075 1.00 22.21 N ATOM 182 CA GLN A 12 -20.706 26.009 -3.469 1.00 23.50 C ATOM 183 C GLN A 12 -19.680 25.539 -4.519 1.00 45.01 C ATOM 184 O GLN A 12 -20.053 24.919 -5.525 1.00 75.43 O ATOM 185 CB GLN A 12 -21.477 24.795 -2.875 1.00 42.12 C ATOM 186 CG GLN A 12 -20.584 23.731 -2.200 1.00 72.03 C ATOM 187 CD GLN A 12 -21.362 22.603 -1.511 1.00 54.21 C ATOM 188 OE1 GLN A 12 -20.790 22.028 -0.463 1.00 55.04 O flip ATOM 189 NE2 GLN A 12 -22.470 22.245 -1.920 1.00 62.52 N flip ATOM 0 H GLN A 12 -21.660 26.955 -5.094 1.00 22.21 H new ATOM 0 HA GLN A 12 -20.179 26.496 -2.648 1.00 23.50 H new ATOM 0 HB2 GLN A 12 -22.197 25.162 -2.144 1.00 42.12 H new ATOM 0 HB3 GLN A 12 -22.047 24.318 -3.673 1.00 42.12 H new ATOM 0 HG2 GLN A 12 -19.925 23.296 -2.951 1.00 72.03 H new ATOM 0 HG3 GLN A 12 -19.948 24.221 -1.463 1.00 72.03 H new ATOM 0 HE21 GLN A 12 -22.888 22.705 -2.729 1.00 62.52 H new ATOM 0 HE22 GLN A 12 -22.968 21.490 -1.449 1.00 62.52 H new ATOM 198 N GLU A 13 -18.393 25.857 -4.272 1.00 13.20 N ATOM 199 CA GLU A 13 -17.281 25.489 -5.163 1.00 13.22 C ATOM 200 C GLU A 13 -16.939 23.993 -5.017 1.00 74.13 C ATOM 201 O GLU A 13 -17.004 23.432 -3.911 1.00 35.12 O ATOM 202 CB GLU A 13 -16.035 26.382 -4.868 1.00 1.21 C ATOM 203 CG GLU A 13 -15.475 26.270 -3.434 1.00 23.21 C ATOM 204 CD GLU A 13 -14.249 27.162 -3.181 1.00 53.04 C ATOM 205 OE1 GLU A 13 -13.111 26.727 -3.471 1.00 44.02 O ATOM 206 OE2 GLU A 13 -14.419 28.315 -2.718 1.00 55.43 O ATOM 0 H GLU A 13 -18.098 26.378 -3.446 1.00 13.20 H new ATOM 0 HA GLU A 13 -17.588 25.661 -6.195 1.00 13.22 H new ATOM 0 HB2 GLU A 13 -15.245 26.120 -5.572 1.00 1.21 H new ATOM 0 HB3 GLU A 13 -16.299 27.422 -5.058 1.00 1.21 H new ATOM 0 HG2 GLU A 13 -16.259 26.535 -2.725 1.00 23.21 H new ATOM 0 HG3 GLU A 13 -15.205 25.232 -3.238 1.00 23.21 H new ATOM 213 N LEU A 14 -16.601 23.363 -6.151 1.00 0.33 N ATOM 214 CA LEU A 14 -16.199 21.946 -6.206 1.00 73.15 C ATOM 215 C LEU A 14 -14.722 21.793 -5.748 1.00 22.23 C ATOM 216 O LEU A 14 -13.947 22.750 -5.867 1.00 54.24 O ATOM 217 CB LEU A 14 -16.414 21.376 -7.648 1.00 63.40 C ATOM 218 CG LEU A 14 -17.895 21.090 -8.099 1.00 31.21 C ATOM 219 CD1 LEU A 14 -18.733 22.379 -8.238 1.00 4.52 C ATOM 220 CD2 LEU A 14 -17.917 20.258 -9.405 1.00 4.53 C ATOM 0 H LEU A 14 -16.598 23.822 -7.062 1.00 0.33 H new ATOM 0 HA LEU A 14 -16.824 21.369 -5.525 1.00 73.15 H new ATOM 0 HB2 LEU A 14 -15.975 22.078 -8.357 1.00 63.40 H new ATOM 0 HB3 LEU A 14 -15.851 20.446 -7.730 1.00 63.40 H new ATOM 0 HG LEU A 14 -18.364 20.504 -7.308 1.00 31.21 H new ATOM 0 HD11 LEU A 14 -19.745 22.123 -8.551 1.00 4.52 H new ATOM 0 HD12 LEU A 14 -18.770 22.895 -7.278 1.00 4.52 H new ATOM 0 HD13 LEU A 14 -18.277 23.031 -8.983 1.00 4.52 H new ATOM 0 HD21 LEU A 14 -18.950 20.071 -9.700 1.00 4.53 H new ATOM 0 HD22 LEU A 14 -17.408 20.809 -10.196 1.00 4.53 H new ATOM 0 HD23 LEU A 14 -17.409 19.308 -9.240 1.00 4.53 H new ATOM 232 N PRO A 15 -14.310 20.597 -5.201 1.00 42.45 N ATOM 233 CA PRO A 15 -12.918 20.386 -4.733 1.00 70.54 C ATOM 234 C PRO A 15 -11.903 20.392 -5.909 1.00 71.22 C ATOM 235 O PRO A 15 -12.065 19.646 -6.887 1.00 12.14 O ATOM 236 CB PRO A 15 -12.982 19.008 -4.014 1.00 31.12 C ATOM 237 CG PRO A 15 -14.147 18.292 -4.639 1.00 14.34 C ATOM 238 CD PRO A 15 -15.156 19.376 -4.978 1.00 65.05 C ATOM 0 HA PRO A 15 -12.567 21.182 -4.076 1.00 70.54 H new ATOM 0 HB2 PRO A 15 -12.056 18.449 -4.151 1.00 31.12 H new ATOM 0 HB3 PRO A 15 -13.125 19.130 -2.940 1.00 31.12 H new ATOM 0 HG2 PRO A 15 -13.840 17.749 -5.533 1.00 14.34 H new ATOM 0 HG3 PRO A 15 -14.573 17.561 -3.952 1.00 14.34 H new ATOM 0 HD2 PRO A 15 -15.733 19.121 -5.867 1.00 65.05 H new ATOM 0 HD3 PRO A 15 -15.869 19.526 -4.167 1.00 65.05 H new ATOM 246 N ASP A 16 -10.873 21.258 -5.810 1.00 52.03 N ATOM 247 CA ASP A 16 -9.811 21.382 -6.838 1.00 73.52 C ATOM 248 C ASP A 16 -8.749 20.261 -6.678 1.00 5.13 C ATOM 249 O ASP A 16 -8.959 19.314 -5.913 1.00 42.14 O ATOM 250 CB ASP A 16 -9.155 22.792 -6.754 1.00 24.30 C ATOM 251 CG ASP A 16 -8.315 23.000 -5.490 1.00 65.52 C ATOM 252 OD1 ASP A 16 -8.899 23.184 -4.407 1.00 2.32 O ATOM 253 OD2 ASP A 16 -7.071 22.953 -5.563 1.00 74.12 O ATOM 0 H ASP A 16 -10.752 21.890 -5.019 1.00 52.03 H new ATOM 0 HA ASP A 16 -10.262 21.266 -7.823 1.00 73.52 H new ATOM 0 HB2 ASP A 16 -8.523 22.943 -7.629 1.00 24.30 H new ATOM 0 HB3 ASP A 16 -9.937 23.551 -6.790 1.00 24.30 H new ATOM 258 N SER A 17 -7.621 20.394 -7.422 1.00 72.54 N ATOM 259 CA SER A 17 -6.507 19.405 -7.465 1.00 23.11 C ATOM 260 C SER A 17 -6.951 18.094 -8.164 1.00 11.11 C ATOM 261 O SER A 17 -8.076 18.017 -8.687 1.00 54.02 O ATOM 262 CB SER A 17 -5.927 19.139 -6.046 1.00 50.00 C ATOM 263 OG SER A 17 -5.513 20.348 -5.441 1.00 51.14 O ATOM 0 H SER A 17 -7.455 21.204 -8.019 1.00 72.54 H new ATOM 0 HA SER A 17 -5.702 19.834 -8.062 1.00 23.11 H new ATOM 0 HB2 SER A 17 -6.680 18.655 -5.425 1.00 50.00 H new ATOM 0 HB3 SER A 17 -5.082 18.453 -6.115 1.00 50.00 H new ATOM 0 HG SER A 17 -6.243 21.000 -5.480 1.00 51.14 H new ATOM 269 N GLY A 18 -6.054 17.084 -8.222 1.00 64.53 N ATOM 270 CA GLY A 18 -6.384 15.783 -8.818 1.00 53.04 C ATOM 271 C GLY A 18 -5.146 14.989 -9.188 1.00 1.55 C ATOM 272 O GLY A 18 -5.090 13.775 -8.958 1.00 33.50 O ATOM 0 H GLY A 18 -5.102 17.151 -7.863 1.00 64.53 H new ATOM 0 HA2 GLY A 18 -6.986 15.206 -8.116 1.00 53.04 H new ATOM 0 HA3 GLY A 18 -6.993 15.938 -9.708 1.00 53.04 H new ATOM 276 N ALA A 19 -4.161 15.678 -9.788 1.00 21.43 N ATOM 277 CA ALA A 19 -2.889 15.066 -10.185 1.00 5.22 C ATOM 278 C ALA A 19 -2.040 14.749 -8.941 1.00 63.42 C ATOM 279 O ALA A 19 -1.361 15.628 -8.387 1.00 2.43 O ATOM 280 CB ALA A 19 -2.141 15.985 -11.168 1.00 74.44 C ATOM 0 H ALA A 19 -4.227 16.671 -10.009 1.00 21.43 H new ATOM 0 HA ALA A 19 -3.087 14.125 -10.698 1.00 5.22 H new ATOM 0 HB1 ALA A 19 -1.198 15.520 -11.455 1.00 74.44 H new ATOM 0 HB2 ALA A 19 -2.753 16.143 -12.056 1.00 74.44 H new ATOM 0 HB3 ALA A 19 -1.941 16.944 -10.690 1.00 74.44 H new ATOM 286 N LEU A 20 -2.143 13.495 -8.484 1.00 14.41 N ATOM 287 CA LEU A 20 -1.400 12.994 -7.323 1.00 50.41 C ATOM 288 C LEU A 20 0.088 12.860 -7.683 1.00 24.35 C ATOM 289 O LEU A 20 0.451 12.026 -8.522 1.00 13.20 O ATOM 290 CB LEU A 20 -1.960 11.617 -6.893 1.00 72.35 C ATOM 291 CG LEU A 20 -1.445 11.052 -5.537 1.00 31.03 C ATOM 292 CD1 LEU A 20 -2.010 11.870 -4.373 1.00 54.41 C ATOM 293 CD2 LEU A 20 -1.787 9.559 -5.381 1.00 44.33 C ATOM 0 H LEU A 20 -2.749 12.795 -8.913 1.00 14.41 H new ATOM 0 HA LEU A 20 -1.510 13.696 -6.497 1.00 50.41 H new ATOM 0 HB2 LEU A 20 -3.046 11.691 -6.841 1.00 72.35 H new ATOM 0 HB3 LEU A 20 -1.727 10.894 -7.675 1.00 72.35 H new ATOM 0 HG LEU A 20 -0.358 11.137 -5.526 1.00 31.03 H new ATOM 0 HD11 LEU A 20 -1.642 11.464 -3.431 1.00 54.41 H new ATOM 0 HD12 LEU A 20 -1.692 12.908 -4.470 1.00 54.41 H new ATOM 0 HD13 LEU A 20 -3.099 11.821 -4.389 1.00 54.41 H new ATOM 0 HD21 LEU A 20 -1.412 9.198 -4.423 1.00 44.33 H new ATOM 0 HD22 LEU A 20 -2.868 9.427 -5.421 1.00 44.33 H new ATOM 0 HD23 LEU A 20 -1.323 8.993 -6.189 1.00 44.33 H new ATOM 305 N MET A 21 0.936 13.708 -7.087 1.00 52.40 N ATOM 306 CA MET A 21 2.390 13.660 -7.305 1.00 64.44 C ATOM 307 C MET A 21 3.053 13.112 -6.038 1.00 73.22 C ATOM 308 O MET A 21 3.242 13.853 -5.070 1.00 65.13 O ATOM 309 CB MET A 21 2.938 15.077 -7.654 1.00 64.13 C ATOM 310 CG MET A 21 2.342 15.714 -8.917 1.00 20.41 C ATOM 311 SD MET A 21 3.229 17.204 -9.442 1.00 13.24 S ATOM 312 CE MET A 21 3.113 18.264 -7.992 1.00 15.21 C ATOM 0 H MET A 21 0.638 14.442 -6.445 1.00 52.40 H new ATOM 0 HA MET A 21 2.618 13.006 -8.147 1.00 64.44 H new ATOM 0 HB2 MET A 21 2.751 15.740 -6.809 1.00 64.13 H new ATOM 0 HB3 MET A 21 4.019 15.012 -7.775 1.00 64.13 H new ATOM 0 HG2 MET A 21 2.356 14.985 -9.727 1.00 20.41 H new ATOM 0 HG3 MET A 21 1.297 15.965 -8.733 1.00 20.41 H new ATOM 0 HE1 MET A 21 3.476 19.261 -8.240 1.00 15.21 H new ATOM 0 HE2 MET A 21 2.074 18.326 -7.669 1.00 15.21 H new ATOM 0 HE3 MET A 21 3.719 17.847 -7.187 1.00 15.21 H new ATOM 322 N LEU A 22 3.395 11.805 -6.048 1.00 70.24 N ATOM 323 CA LEU A 22 4.058 11.136 -4.910 1.00 3.22 C ATOM 324 C LEU A 22 5.535 11.584 -4.850 1.00 32.40 C ATOM 325 O LEU A 22 6.291 11.388 -5.806 1.00 2.32 O ATOM 326 CB LEU A 22 3.930 9.587 -5.047 1.00 53.14 C ATOM 327 CG LEU A 22 2.471 9.018 -5.034 1.00 71.22 C ATOM 328 CD1 LEU A 22 2.453 7.521 -5.393 1.00 5.34 C ATOM 329 CD2 LEU A 22 1.774 9.269 -3.673 1.00 15.02 C ATOM 0 H LEU A 22 3.220 11.188 -6.841 1.00 70.24 H new ATOM 0 HA LEU A 22 3.573 11.421 -3.976 1.00 3.22 H new ATOM 0 HB2 LEU A 22 4.410 9.283 -5.977 1.00 53.14 H new ATOM 0 HB3 LEU A 22 4.488 9.122 -4.234 1.00 53.14 H new ATOM 0 HG LEU A 22 1.907 9.554 -5.798 1.00 71.22 H new ATOM 0 HD11 LEU A 22 1.426 7.155 -5.376 1.00 5.34 H new ATOM 0 HD12 LEU A 22 2.871 7.381 -6.390 1.00 5.34 H new ATOM 0 HD13 LEU A 22 3.048 6.966 -4.668 1.00 5.34 H new ATOM 0 HD21 LEU A 22 0.764 8.861 -3.701 1.00 15.02 H new ATOM 0 HD22 LEU A 22 2.340 8.782 -2.879 1.00 15.02 H new ATOM 0 HD23 LEU A 22 1.727 10.341 -3.480 1.00 15.02 H new ATOM 341 N VAL A 23 5.912 12.231 -3.738 1.00 14.51 N ATOM 342 CA VAL A 23 7.232 12.891 -3.580 1.00 2.52 C ATOM 343 C VAL A 23 8.077 12.163 -2.504 1.00 51.42 C ATOM 344 O VAL A 23 7.524 11.312 -1.785 1.00 75.01 O ATOM 345 CB VAL A 23 7.028 14.424 -3.237 1.00 50.30 C ATOM 346 CG1 VAL A 23 6.304 15.157 -4.390 1.00 51.44 C ATOM 347 CG2 VAL A 23 6.271 14.613 -1.910 1.00 3.25 C ATOM 0 H VAL A 23 5.314 12.316 -2.916 1.00 14.51 H new ATOM 0 HA VAL A 23 7.784 12.829 -4.518 1.00 2.52 H new ATOM 0 HB VAL A 23 8.017 14.866 -3.118 1.00 50.30 H new ATOM 0 HG11 VAL A 23 6.176 16.208 -4.130 1.00 51.44 H new ATOM 0 HG12 VAL A 23 6.898 15.078 -5.301 1.00 51.44 H new ATOM 0 HG13 VAL A 23 5.327 14.702 -4.554 1.00 51.44 H new ATOM 0 HG21 VAL A 23 6.150 15.677 -1.708 1.00 3.25 H new ATOM 0 HG22 VAL A 23 5.290 14.143 -1.981 1.00 3.25 H new ATOM 0 HG23 VAL A 23 6.836 14.152 -1.100 1.00 3.25 H new ATOM 357 N PRO A 24 9.440 12.431 -2.414 1.00 61.02 N ATOM 358 CA PRO A 24 10.316 11.854 -1.356 1.00 65.21 C ATOM 359 C PRO A 24 9.739 12.014 0.069 1.00 34.53 C ATOM 360 O PRO A 24 9.907 13.055 0.719 1.00 24.03 O ATOM 361 CB PRO A 24 11.637 12.647 -1.526 1.00 23.13 C ATOM 362 CG PRO A 24 11.685 12.983 -2.986 1.00 50.10 C ATOM 363 CD PRO A 24 10.244 13.267 -3.370 1.00 43.45 C ATOM 0 HA PRO A 24 10.433 10.776 -1.466 1.00 65.21 H new ATOM 0 HB2 PRO A 24 11.642 13.547 -0.911 1.00 23.13 H new ATOM 0 HB3 PRO A 24 12.499 12.051 -1.227 1.00 23.13 H new ATOM 0 HG2 PRO A 24 12.321 13.849 -3.171 1.00 50.10 H new ATOM 0 HG3 PRO A 24 12.093 12.157 -3.568 1.00 50.10 H new ATOM 0 HD2 PRO A 24 10.006 14.326 -3.271 1.00 43.45 H new ATOM 0 HD3 PRO A 24 10.045 12.991 -4.406 1.00 43.45 H new ATOM 371 N ASN A 25 9.020 10.974 0.513 1.00 4.43 N ATOM 372 CA ASN A 25 8.348 10.938 1.830 1.00 15.34 C ATOM 373 C ASN A 25 9.271 10.316 2.896 1.00 71.34 C ATOM 374 O ASN A 25 10.109 9.458 2.577 1.00 53.53 O ATOM 375 CB ASN A 25 7.007 10.166 1.720 1.00 64.12 C ATOM 376 CG ASN A 25 7.127 8.760 1.132 1.00 53.13 C ATOM 377 OD1 ASN A 25 7.337 7.781 1.846 1.00 52.53 O ATOM 378 ND2 ASN A 25 6.985 8.653 -0.185 1.00 0.22 N ATOM 0 H ASN A 25 8.884 10.123 -0.033 1.00 4.43 H new ATOM 0 HA ASN A 25 8.128 11.958 2.144 1.00 15.34 H new ATOM 0 HB2 ASN A 25 6.562 10.093 2.713 1.00 64.12 H new ATOM 0 HB3 ASN A 25 6.319 10.745 1.104 1.00 64.12 H new ATOM 0 HD21 ASN A 25 7.049 7.739 -0.632 1.00 0.22 H new ATOM 0 HD22 ASN A 25 6.812 9.485 -0.749 1.00 0.22 H new ATOM 385 N ARG A 26 9.117 10.763 4.159 1.00 42.23 N ATOM 386 CA ARG A 26 10.041 10.409 5.259 1.00 2.31 C ATOM 387 C ARG A 26 9.702 9.038 5.876 1.00 44.21 C ATOM 388 O ARG A 26 8.567 8.549 5.745 1.00 65.05 O ATOM 389 CB ARG A 26 10.030 11.504 6.343 1.00 14.21 C ATOM 390 CG ARG A 26 10.503 12.875 5.841 1.00 43.30 C ATOM 391 CD ARG A 26 10.437 13.948 6.926 1.00 44.21 C ATOM 392 NE ARG A 26 10.859 15.269 6.425 1.00 13.41 N ATOM 393 CZ ARG A 26 11.020 16.365 7.185 1.00 11.03 C ATOM 394 NH1 ARG A 26 10.774 16.334 8.496 1.00 55.40 N ATOM 395 NH2 ARG A 26 11.418 17.498 6.623 1.00 75.33 N ATOM 0 H ARG A 26 8.354 11.376 4.445 1.00 42.23 H new ATOM 0 HA ARG A 26 11.043 10.338 4.835 1.00 2.31 H new ATOM 0 HB2 ARG A 26 9.019 11.601 6.738 1.00 14.21 H new ATOM 0 HB3 ARG A 26 10.667 11.190 7.170 1.00 14.21 H new ATOM 0 HG2 ARG A 26 11.527 12.792 5.478 1.00 43.30 H new ATOM 0 HG3 ARG A 26 9.888 13.180 4.994 1.00 43.30 H new ATOM 0 HD2 ARG A 26 9.418 14.014 7.309 1.00 44.21 H new ATOM 0 HD3 ARG A 26 11.073 13.657 7.762 1.00 44.21 H new ATOM 0 HE ARG A 26 11.043 15.357 5.426 1.00 13.41 H new ATOM 0 HH11 ARG A 26 10.459 15.469 8.935 1.00 55.40 H new ATOM 0 HH12 ARG A 26 10.901 17.175 9.059 1.00 55.40 H new ATOM 0 HH21 ARG A 26 11.600 17.533 5.620 1.00 75.33 H new ATOM 0 HH22 ARG A 26 11.542 18.334 7.194 1.00 75.33 H new ATOM 409 N GLN A 27 10.710 8.449 6.561 1.00 23.23 N ATOM 410 CA GLN A 27 10.619 7.106 7.163 1.00 52.44 C ATOM 411 C GLN A 27 9.523 7.053 8.242 1.00 52.23 C ATOM 412 O GLN A 27 9.373 7.992 9.038 1.00 32.42 O ATOM 413 CB GLN A 27 11.991 6.680 7.768 1.00 14.54 C ATOM 414 CG GLN A 27 12.510 7.601 8.893 1.00 2.14 C ATOM 415 CD GLN A 27 13.781 7.094 9.576 1.00 42.01 C ATOM 416 OE1 GLN A 27 14.011 5.890 9.689 1.00 11.21 O ATOM 417 NE2 GLN A 27 14.614 8.006 10.040 1.00 63.11 N ATOM 0 H GLN A 27 11.613 8.899 6.710 1.00 23.23 H new ATOM 0 HA GLN A 27 10.352 6.405 6.372 1.00 52.44 H new ATOM 0 HB2 GLN A 27 11.902 5.666 8.158 1.00 14.54 H new ATOM 0 HB3 GLN A 27 12.732 6.651 6.969 1.00 14.54 H new ATOM 0 HG2 GLN A 27 12.703 8.590 8.478 1.00 2.14 H new ATOM 0 HG3 GLN A 27 11.728 7.717 9.644 1.00 2.14 H new ATOM 0 HE21 GLN A 27 14.397 8.997 9.932 1.00 63.11 H new ATOM 0 HE22 GLN A 27 15.475 7.720 10.507 1.00 63.11 H new ATOM 426 N LEU A 28 8.739 5.961 8.242 1.00 5.40 N ATOM 427 CA LEU A 28 7.718 5.704 9.273 1.00 3.12 C ATOM 428 C LEU A 28 8.027 4.366 9.956 1.00 1.12 C ATOM 429 O LEU A 28 8.385 3.389 9.283 1.00 12.23 O ATOM 430 CB LEU A 28 6.288 5.685 8.656 1.00 4.23 C ATOM 431 CG LEU A 28 5.852 6.960 7.864 1.00 22.11 C ATOM 432 CD1 LEU A 28 4.421 6.798 7.334 1.00 63.41 C ATOM 433 CD2 LEU A 28 5.989 8.249 8.708 1.00 11.31 C ATOM 0 H LEU A 28 8.795 5.233 7.529 1.00 5.40 H new ATOM 0 HA LEU A 28 7.745 6.508 10.009 1.00 3.12 H new ATOM 0 HB2 LEU A 28 6.217 4.827 7.987 1.00 4.23 H new ATOM 0 HB3 LEU A 28 5.571 5.522 9.461 1.00 4.23 H new ATOM 0 HG LEU A 28 6.529 7.065 7.016 1.00 22.11 H new ATOM 0 HD11 LEU A 28 4.133 7.694 6.785 1.00 63.41 H new ATOM 0 HD12 LEU A 28 4.375 5.935 6.670 1.00 63.41 H new ATOM 0 HD13 LEU A 28 3.738 6.649 8.170 1.00 63.41 H new ATOM 0 HD21 LEU A 28 5.674 9.108 8.115 1.00 11.31 H new ATOM 0 HD22 LEU A 28 5.361 8.171 9.595 1.00 11.31 H new ATOM 0 HD23 LEU A 28 7.029 8.378 9.009 1.00 11.31 H new ATOM 445 N THR A 29 7.913 4.338 11.291 1.00 25.32 N ATOM 446 CA THR A 29 8.104 3.118 12.087 1.00 64.20 C ATOM 447 C THR A 29 6.854 2.228 11.978 1.00 24.25 C ATOM 448 O THR A 29 5.766 2.722 11.685 1.00 42.14 O ATOM 449 CB THR A 29 8.386 3.480 13.582 1.00 52.34 C ATOM 450 OG1 THR A 29 7.299 4.253 14.107 1.00 51.53 O ATOM 451 CG2 THR A 29 9.699 4.264 13.742 1.00 53.41 C ATOM 0 H THR A 29 7.686 5.161 11.849 1.00 25.32 H new ATOM 0 HA THR A 29 8.964 2.572 11.699 1.00 64.20 H new ATOM 0 HB THR A 29 8.483 2.547 14.136 1.00 52.34 H new ATOM 0 HG1 THR A 29 7.479 4.476 15.044 1.00 51.53 H new ATOM 0 HG21 THR A 29 9.858 4.496 14.795 1.00 53.41 H new ATOM 0 HG22 THR A 29 10.530 3.662 13.374 1.00 53.41 H new ATOM 0 HG23 THR A 29 9.641 5.191 13.171 1.00 53.41 H new ATOM 459 N ALA A 30 7.035 0.914 12.195 1.00 33.25 N ATOM 460 CA ALA A 30 5.933 -0.073 12.218 1.00 71.35 C ATOM 461 C ALA A 30 4.919 0.229 13.340 1.00 12.21 C ATOM 462 O ALA A 30 3.726 -0.033 13.179 1.00 71.23 O ATOM 463 CB ALA A 30 6.496 -1.503 12.351 1.00 64.25 C ATOM 0 H ALA A 30 7.953 0.501 12.361 1.00 33.25 H new ATOM 0 HA ALA A 30 5.397 0.003 11.272 1.00 71.35 H new ATOM 0 HB1 ALA A 30 5.673 -2.218 12.367 1.00 64.25 H new ATOM 0 HB2 ALA A 30 7.147 -1.718 11.504 1.00 64.25 H new ATOM 0 HB3 ALA A 30 7.066 -1.585 13.277 1.00 64.25 H new ATOM 469 N ASP A 31 5.413 0.793 14.466 1.00 63.03 N ATOM 470 CA ASP A 31 4.558 1.203 15.604 1.00 62.34 C ATOM 471 C ASP A 31 3.696 2.432 15.239 1.00 33.10 C ATOM 472 O ASP A 31 2.520 2.498 15.615 1.00 23.33 O ATOM 473 CB ASP A 31 5.401 1.515 16.874 1.00 4.22 C ATOM 474 CG ASP A 31 6.107 0.284 17.471 1.00 21.53 C ATOM 475 OD1 ASP A 31 5.424 -0.572 18.069 1.00 60.20 O ATOM 476 OD2 ASP A 31 7.345 0.170 17.366 1.00 42.44 O ATOM 0 H ASP A 31 6.406 0.975 14.611 1.00 63.03 H new ATOM 0 HA ASP A 31 3.901 0.361 15.824 1.00 62.34 H new ATOM 0 HB2 ASP A 31 6.150 2.267 16.625 1.00 4.22 H new ATOM 0 HB3 ASP A 31 4.751 1.952 17.632 1.00 4.22 H new ATOM 481 N TYR A 32 4.299 3.409 14.508 1.00 24.44 N ATOM 482 CA TYR A 32 3.584 4.628 14.059 1.00 64.34 C ATOM 483 C TYR A 32 2.553 4.265 12.998 1.00 53.30 C ATOM 484 O TYR A 32 1.424 4.743 13.054 1.00 55.23 O ATOM 485 CB TYR A 32 4.547 5.701 13.472 1.00 43.01 C ATOM 486 CG TYR A 32 3.847 6.943 12.850 1.00 70.22 C ATOM 487 CD1 TYR A 32 3.429 8.013 13.644 1.00 20.41 C ATOM 488 CD2 TYR A 32 3.592 7.030 11.464 1.00 4.31 C ATOM 489 CE1 TYR A 32 2.805 9.118 13.087 1.00 12.13 C ATOM 490 CE2 TYR A 32 2.968 8.131 10.914 1.00 24.31 C ATOM 491 CZ TYR A 32 2.574 9.169 11.727 1.00 11.54 C ATOM 492 OH TYR A 32 1.948 10.270 11.182 1.00 30.43 O ATOM 0 H TYR A 32 5.277 3.373 14.220 1.00 24.44 H new ATOM 0 HA TYR A 32 3.100 5.052 14.939 1.00 64.34 H new ATOM 0 HB2 TYR A 32 5.216 6.038 14.263 1.00 43.01 H new ATOM 0 HB3 TYR A 32 5.167 5.232 12.708 1.00 43.01 H new ATOM 0 HD1 TYR A 32 3.595 7.979 14.711 1.00 20.41 H new ATOM 0 HD2 TYR A 32 3.892 6.217 10.820 1.00 4.31 H new ATOM 0 HE1 TYR A 32 2.499 9.940 13.717 1.00 12.13 H new ATOM 0 HE2 TYR A 32 2.790 8.178 9.850 1.00 24.31 H new ATOM 0 HH TYR A 32 1.862 10.151 10.213 1.00 30.43 H new ATOM 502 N PHE A 33 2.987 3.464 11.998 1.00 73.05 N ATOM 503 CA PHE A 33 2.128 3.018 10.888 1.00 70.30 C ATOM 504 C PHE A 33 0.864 2.366 11.459 1.00 14.53 C ATOM 505 O PHE A 33 -0.241 2.756 11.107 1.00 12.21 O ATOM 506 CB PHE A 33 2.880 2.015 9.956 1.00 71.12 C ATOM 507 CG PHE A 33 2.108 1.631 8.677 1.00 31.52 C ATOM 508 CD1 PHE A 33 0.994 0.779 8.713 1.00 1.40 C ATOM 509 CD2 PHE A 33 2.488 2.134 7.440 1.00 52.23 C ATOM 510 CE1 PHE A 33 0.292 0.468 7.567 1.00 11.53 C ATOM 511 CE2 PHE A 33 1.790 1.808 6.296 1.00 61.11 C ATOM 512 CZ PHE A 33 0.695 0.974 6.360 1.00 10.31 C ATOM 0 H PHE A 33 3.942 3.111 11.942 1.00 73.05 H new ATOM 0 HA PHE A 33 1.856 3.886 10.287 1.00 70.30 H new ATOM 0 HB2 PHE A 33 3.837 2.451 9.671 1.00 71.12 H new ATOM 0 HB3 PHE A 33 3.098 1.108 10.520 1.00 71.12 H new ATOM 0 HD1 PHE A 33 0.680 0.358 9.657 1.00 1.40 H new ATOM 0 HD2 PHE A 33 3.343 2.790 7.373 1.00 52.23 H new ATOM 0 HE1 PHE A 33 -0.575 -0.174 7.622 1.00 11.53 H new ATOM 0 HE2 PHE A 33 2.104 2.209 5.344 1.00 61.11 H new ATOM 0 HZ PHE A 33 0.155 0.720 5.460 1.00 10.31 H new ATOM 522 N GLU A 34 1.091 1.381 12.356 1.00 54.24 N ATOM 523 CA GLU A 34 0.030 0.619 13.032 1.00 71.31 C ATOM 524 C GLU A 34 -0.912 1.552 13.810 1.00 22.03 C ATOM 525 O GLU A 34 -2.124 1.408 13.733 1.00 23.23 O ATOM 526 CB GLU A 34 0.653 -0.421 13.996 1.00 42.05 C ATOM 527 CG GLU A 34 -0.373 -1.313 14.719 1.00 73.22 C ATOM 528 CD GLU A 34 0.262 -2.159 15.823 1.00 61.11 C ATOM 529 OE1 GLU A 34 0.605 -1.595 16.879 1.00 13.10 O ATOM 530 OE2 GLU A 34 0.439 -3.384 15.642 1.00 52.11 O ATOM 0 H GLU A 34 2.030 1.093 12.631 1.00 54.24 H new ATOM 0 HA GLU A 34 -0.552 0.102 12.269 1.00 71.31 H new ATOM 0 HB2 GLU A 34 1.336 -1.057 13.433 1.00 42.05 H new ATOM 0 HB3 GLU A 34 1.249 0.105 14.742 1.00 42.05 H new ATOM 0 HG2 GLU A 34 -1.154 -0.687 15.150 1.00 73.22 H new ATOM 0 HG3 GLU A 34 -0.854 -1.969 13.994 1.00 73.22 H new ATOM 537 N LYS A 35 -0.323 2.536 14.516 1.00 63.33 N ATOM 538 CA LYS A 35 -1.072 3.479 15.368 1.00 32.52 C ATOM 539 C LYS A 35 -2.026 4.339 14.519 1.00 25.12 C ATOM 540 O LYS A 35 -3.226 4.415 14.797 1.00 12.44 O ATOM 541 CB LYS A 35 -0.085 4.379 16.156 1.00 12.25 C ATOM 542 CG LYS A 35 -0.740 5.217 17.275 1.00 60.24 C ATOM 543 CD LYS A 35 0.265 6.099 18.045 1.00 63.41 C ATOM 544 CE LYS A 35 1.408 5.297 18.695 1.00 22.34 C ATOM 545 NZ LYS A 35 0.911 4.247 19.626 1.00 1.23 N ATOM 0 H LYS A 35 0.684 2.699 14.512 1.00 63.33 H new ATOM 0 HA LYS A 35 -1.671 2.908 16.077 1.00 32.52 H new ATOM 0 HB2 LYS A 35 0.689 3.750 16.596 1.00 12.25 H new ATOM 0 HB3 LYS A 35 0.410 5.053 15.457 1.00 12.25 H new ATOM 0 HG2 LYS A 35 -1.511 5.852 16.839 1.00 60.24 H new ATOM 0 HG3 LYS A 35 -1.237 4.548 17.977 1.00 60.24 H new ATOM 0 HD2 LYS A 35 0.690 6.835 17.362 1.00 63.41 H new ATOM 0 HD3 LYS A 35 -0.267 6.652 18.819 1.00 63.41 H new ATOM 0 HE2 LYS A 35 2.010 4.831 17.915 1.00 22.34 H new ATOM 0 HE3 LYS A 35 2.063 5.979 19.238 1.00 22.34 H new ATOM 0 HZ1 LYS A 35 1.719 3.782 20.088 1.00 1.23 H new ATOM 0 HZ2 LYS A 35 0.303 4.683 20.348 1.00 1.23 H new ATOM 0 HZ3 LYS A 35 0.364 3.541 19.093 1.00 1.23 H new ATOM 559 N THR A 36 -1.464 4.936 13.454 1.00 53.33 N ATOM 560 CA THR A 36 -2.201 5.792 12.513 1.00 41.22 C ATOM 561 C THR A 36 -3.262 4.952 11.753 1.00 55.42 C ATOM 562 O THR A 36 -4.383 5.401 11.537 1.00 15.03 O ATOM 563 CB THR A 36 -1.217 6.499 11.510 1.00 53.54 C ATOM 564 OG1 THR A 36 -0.057 6.979 12.218 1.00 51.14 O ATOM 565 CG2 THR A 36 -1.873 7.695 10.777 1.00 1.24 C ATOM 0 H THR A 36 -0.476 4.836 13.221 1.00 53.33 H new ATOM 0 HA THR A 36 -2.714 6.572 13.077 1.00 41.22 H new ATOM 0 HB THR A 36 -0.939 5.754 10.765 1.00 53.54 H new ATOM 0 HG1 THR A 36 0.557 6.233 12.383 1.00 51.14 H new ATOM 0 HG21 THR A 36 -1.150 8.146 10.097 1.00 1.24 H new ATOM 0 HG22 THR A 36 -2.735 7.345 10.209 1.00 1.24 H new ATOM 0 HG23 THR A 36 -2.196 8.437 11.508 1.00 1.24 H new ATOM 573 N TRP A 37 -2.893 3.695 11.442 1.00 1.12 N ATOM 574 CA TRP A 37 -3.762 2.715 10.762 1.00 70.13 C ATOM 575 C TRP A 37 -5.029 2.459 11.598 1.00 64.04 C ATOM 576 O TRP A 37 -6.147 2.641 11.113 1.00 4.33 O ATOM 577 CB TRP A 37 -2.966 1.395 10.538 1.00 11.51 C ATOM 578 CG TRP A 37 -3.718 0.308 9.806 1.00 11.32 C ATOM 579 CD1 TRP A 37 -4.395 -0.752 10.347 1.00 42.51 C ATOM 580 CD2 TRP A 37 -3.855 0.185 8.387 1.00 72.42 C ATOM 581 NE1 TRP A 37 -4.946 -1.515 9.351 1.00 54.34 N ATOM 582 CE2 TRP A 37 -4.629 -0.961 8.141 1.00 0.23 C ATOM 583 CE3 TRP A 37 -3.402 0.940 7.305 1.00 34.54 C ATOM 584 CZ2 TRP A 37 -4.953 -1.371 6.855 1.00 30.53 C ATOM 585 CZ3 TRP A 37 -3.726 0.536 6.029 1.00 34.42 C ATOM 586 CH2 TRP A 37 -4.497 -0.608 5.814 1.00 52.00 C ATOM 0 H TRP A 37 -1.968 3.326 11.660 1.00 1.12 H new ATOM 0 HA TRP A 37 -4.073 3.108 9.794 1.00 70.13 H new ATOM 0 HB2 TRP A 37 -2.059 1.627 9.980 1.00 11.51 H new ATOM 0 HB3 TRP A 37 -2.653 1.009 11.508 1.00 11.51 H new ATOM 0 HD1 TRP A 37 -4.482 -0.957 11.404 1.00 42.51 H new ATOM 0 HE1 TRP A 37 -5.502 -2.359 9.489 1.00 54.34 H new ATOM 0 HE3 TRP A 37 -2.807 1.827 7.465 1.00 34.54 H new ATOM 0 HZ2 TRP A 37 -5.543 -2.259 6.682 1.00 30.53 H new ATOM 0 HZ3 TRP A 37 -3.379 1.112 5.184 1.00 34.42 H new ATOM 0 HH2 TRP A 37 -4.739 -0.898 4.802 1.00 52.00 H new ATOM 597 N LEU A 38 -4.819 2.113 12.882 1.00 22.22 N ATOM 598 CA LEU A 38 -5.904 1.758 13.813 1.00 12.51 C ATOM 599 C LEU A 38 -6.785 2.981 14.131 1.00 4.11 C ATOM 600 O LEU A 38 -7.983 2.836 14.392 1.00 50.32 O ATOM 601 CB LEU A 38 -5.328 1.129 15.117 1.00 74.23 C ATOM 602 CG LEU A 38 -4.505 -0.189 14.929 1.00 51.41 C ATOM 603 CD1 LEU A 38 -3.941 -0.697 16.272 1.00 13.23 C ATOM 604 CD2 LEU A 38 -5.330 -1.279 14.206 1.00 0.41 C ATOM 0 H LEU A 38 -3.891 2.072 13.303 1.00 22.22 H new ATOM 0 HA LEU A 38 -6.535 1.013 13.328 1.00 12.51 H new ATOM 0 HB2 LEU A 38 -4.691 1.867 15.604 1.00 74.23 H new ATOM 0 HB3 LEU A 38 -6.156 0.925 15.796 1.00 74.23 H new ATOM 0 HG LEU A 38 -3.655 0.046 14.288 1.00 51.41 H new ATOM 0 HD11 LEU A 38 -3.375 -1.614 16.106 1.00 13.23 H new ATOM 0 HD12 LEU A 38 -3.286 0.061 16.702 1.00 13.23 H new ATOM 0 HD13 LEU A 38 -4.763 -0.898 16.959 1.00 13.23 H new ATOM 0 HD21 LEU A 38 -4.725 -2.179 14.094 1.00 0.41 H new ATOM 0 HD22 LEU A 38 -6.220 -1.511 14.792 1.00 0.41 H new ATOM 0 HD23 LEU A 38 -5.628 -0.917 13.222 1.00 0.41 H new ATOM 616 N SER A 39 -6.182 4.186 14.086 1.00 40.01 N ATOM 617 CA SER A 39 -6.895 5.446 14.370 1.00 34.43 C ATOM 618 C SER A 39 -7.666 5.975 13.137 1.00 70.20 C ATOM 619 O SER A 39 -8.508 6.868 13.275 1.00 53.41 O ATOM 620 CB SER A 39 -5.911 6.514 14.896 1.00 61.44 C ATOM 621 OG SER A 39 -4.908 6.839 13.955 1.00 1.41 O ATOM 0 H SER A 39 -5.197 4.312 13.854 1.00 40.01 H new ATOM 0 HA SER A 39 -7.635 5.233 15.142 1.00 34.43 H new ATOM 0 HB2 SER A 39 -6.465 7.416 15.157 1.00 61.44 H new ATOM 0 HB3 SER A 39 -5.442 6.152 15.811 1.00 61.44 H new ATOM 0 HG SER A 39 -4.992 6.255 13.172 1.00 1.41 H new ATOM 627 N LEU A 40 -7.372 5.437 11.931 1.00 42.12 N ATOM 628 CA LEU A 40 -8.052 5.835 10.675 1.00 5.34 C ATOM 629 C LEU A 40 -9.076 4.760 10.237 1.00 60.12 C ATOM 630 O LEU A 40 -9.058 3.623 10.723 1.00 25.44 O ATOM 631 CB LEU A 40 -7.017 6.076 9.537 1.00 32.33 C ATOM 632 CG LEU A 40 -6.030 7.268 9.736 1.00 31.34 C ATOM 633 CD1 LEU A 40 -5.013 7.329 8.583 1.00 74.21 C ATOM 634 CD2 LEU A 40 -6.779 8.606 9.896 1.00 34.40 C ATOM 0 H LEU A 40 -6.660 4.718 11.800 1.00 42.12 H new ATOM 0 HA LEU A 40 -8.584 6.767 10.867 1.00 5.34 H new ATOM 0 HB2 LEU A 40 -6.431 5.166 9.410 1.00 32.33 H new ATOM 0 HB3 LEU A 40 -7.563 6.236 8.607 1.00 32.33 H new ATOM 0 HG LEU A 40 -5.482 7.096 10.662 1.00 31.34 H new ATOM 0 HD11 LEU A 40 -4.334 8.167 8.741 1.00 74.21 H new ATOM 0 HD12 LEU A 40 -4.443 6.401 8.551 1.00 74.21 H new ATOM 0 HD13 LEU A 40 -5.541 7.463 7.639 1.00 74.21 H new ATOM 0 HD21 LEU A 40 -6.058 9.412 10.032 1.00 34.40 H new ATOM 0 HD22 LEU A 40 -7.374 8.799 9.004 1.00 34.40 H new ATOM 0 HD23 LEU A 40 -7.435 8.554 10.765 1.00 34.40 H new ATOM 646 N LYS A 41 -9.942 5.155 9.290 1.00 51.13 N ATOM 647 CA LYS A 41 -10.999 4.310 8.693 1.00 2.12 C ATOM 648 C LYS A 41 -10.624 3.976 7.241 1.00 25.43 C ATOM 649 O LYS A 41 -9.820 4.694 6.624 1.00 32.34 O ATOM 650 CB LYS A 41 -12.357 5.055 8.730 1.00 74.41 C ATOM 651 CG LYS A 41 -12.836 5.418 10.147 1.00 63.03 C ATOM 652 CD LYS A 41 -14.188 6.167 10.151 1.00 33.04 C ATOM 653 CE LYS A 41 -14.607 6.625 11.558 1.00 70.40 C ATOM 654 NZ LYS A 41 -15.907 7.351 11.544 1.00 4.55 N ATOM 0 H LYS A 41 -9.929 6.099 8.904 1.00 51.13 H new ATOM 0 HA LYS A 41 -11.090 3.387 9.265 1.00 2.12 H new ATOM 0 HB2 LYS A 41 -12.274 5.968 8.141 1.00 74.41 H new ATOM 0 HB3 LYS A 41 -13.113 4.434 8.250 1.00 74.41 H new ATOM 0 HG2 LYS A 41 -12.929 4.507 10.738 1.00 63.03 H new ATOM 0 HG3 LYS A 41 -12.082 6.037 10.633 1.00 63.03 H new ATOM 0 HD2 LYS A 41 -14.120 7.035 9.496 1.00 33.04 H new ATOM 0 HD3 LYS A 41 -14.960 5.517 9.740 1.00 33.04 H new ATOM 0 HE2 LYS A 41 -14.683 5.758 12.214 1.00 70.40 H new ATOM 0 HE3 LYS A 41 -13.835 7.272 11.974 1.00 70.40 H new ATOM 0 HZ1 LYS A 41 -16.152 7.642 12.512 1.00 4.55 H new ATOM 0 HZ2 LYS A 41 -15.828 8.193 10.939 1.00 4.55 H new ATOM 0 HZ3 LYS A 41 -16.650 6.726 11.172 1.00 4.55 H new ATOM 668 N VAL A 42 -11.168 2.856 6.732 1.00 63.05 N ATOM 669 CA VAL A 42 -10.945 2.393 5.349 1.00 54.42 C ATOM 670 C VAL A 42 -11.514 3.397 4.329 1.00 33.34 C ATOM 671 O VAL A 42 -12.718 3.681 4.324 1.00 31.33 O ATOM 672 CB VAL A 42 -11.567 0.961 5.118 1.00 12.44 C ATOM 673 CG1 VAL A 42 -11.347 0.456 3.671 1.00 2.04 C ATOM 674 CG2 VAL A 42 -11.000 -0.050 6.139 1.00 71.02 C ATOM 0 H VAL A 42 -11.779 2.242 7.271 1.00 63.05 H new ATOM 0 HA VAL A 42 -9.868 2.324 5.197 1.00 54.42 H new ATOM 0 HB VAL A 42 -12.643 1.048 5.270 1.00 12.44 H new ATOM 0 HG11 VAL A 42 -11.792 -0.533 3.559 1.00 2.04 H new ATOM 0 HG12 VAL A 42 -11.816 1.146 2.970 1.00 2.04 H new ATOM 0 HG13 VAL A 42 -10.278 0.399 3.464 1.00 2.04 H new ATOM 0 HG21 VAL A 42 -11.441 -1.031 5.963 1.00 71.02 H new ATOM 0 HG22 VAL A 42 -9.918 -0.113 6.026 1.00 71.02 H new ATOM 0 HG23 VAL A 42 -11.240 0.280 7.150 1.00 71.02 H new ATOM 684 N ALA A 43 -10.628 3.934 3.470 1.00 43.11 N ATOM 685 CA ALA A 43 -11.016 4.857 2.395 1.00 42.24 C ATOM 686 C ALA A 43 -11.437 4.034 1.169 1.00 10.45 C ATOM 687 O ALA A 43 -12.469 4.295 0.539 1.00 11.41 O ATOM 688 CB ALA A 43 -9.854 5.811 2.068 1.00 1.01 C ATOM 0 H ALA A 43 -9.627 3.739 3.504 1.00 43.11 H new ATOM 0 HA ALA A 43 -11.858 5.472 2.711 1.00 42.24 H new ATOM 0 HB1 ALA A 43 -10.154 6.490 1.270 1.00 1.01 H new ATOM 0 HB2 ALA A 43 -9.595 6.387 2.956 1.00 1.01 H new ATOM 0 HB3 ALA A 43 -8.988 5.233 1.746 1.00 1.01 H new ATOM 694 N HIS A 44 -10.604 3.032 0.849 1.00 14.10 N ATOM 695 CA HIS A 44 -10.859 2.042 -0.208 1.00 20.42 C ATOM 696 C HIS A 44 -10.291 0.678 0.213 1.00 13.14 C ATOM 697 O HIS A 44 -9.337 0.607 0.990 1.00 24.23 O ATOM 698 CB HIS A 44 -10.196 2.525 -1.526 1.00 64.03 C ATOM 699 CG HIS A 44 -10.232 1.558 -2.692 1.00 13.20 C ATOM 700 ND1 HIS A 44 -11.326 1.466 -3.517 1.00 62.33 N ATOM 701 CD2 HIS A 44 -9.269 0.714 -3.154 1.00 40.32 C ATOM 702 CE1 HIS A 44 -11.007 0.584 -4.451 1.00 30.55 C ATOM 703 NE2 HIS A 44 -9.770 0.104 -4.270 1.00 51.12 N ATOM 0 H HIS A 44 -9.716 2.884 1.328 1.00 14.10 H new ATOM 0 HA HIS A 44 -11.932 1.935 -0.367 1.00 20.42 H new ATOM 0 HB2 HIS A 44 -10.683 3.450 -1.834 1.00 64.03 H new ATOM 0 HB3 HIS A 44 -9.154 2.768 -1.316 1.00 64.03 H new ATOM 0 HD1 HIS A 44 -12.206 1.974 -3.428 1.00 62.33 H new ATOM 0 HD2 HIS A 44 -8.293 0.556 -2.720 1.00 40.32 H new ATOM 0 HE1 HIS A 44 -11.662 0.289 -5.257 1.00 30.55 H new ATOM 711 N GLN A 45 -10.911 -0.398 -0.287 1.00 62.24 N ATOM 712 CA GLN A 45 -10.362 -1.752 -0.223 1.00 70.32 C ATOM 713 C GLN A 45 -10.868 -2.542 -1.441 1.00 30.13 C ATOM 714 O GLN A 45 -12.070 -2.549 -1.736 1.00 35.41 O ATOM 715 CB GLN A 45 -10.718 -2.473 1.109 1.00 22.44 C ATOM 716 CG GLN A 45 -10.174 -3.914 1.215 1.00 41.35 C ATOM 717 CD GLN A 45 -10.511 -4.594 2.541 1.00 72.30 C ATOM 718 OE1 GLN A 45 -9.740 -4.537 3.501 1.00 70.34 O ATOM 719 NE2 GLN A 45 -11.679 -5.211 2.623 1.00 43.51 N ATOM 0 H GLN A 45 -11.818 -0.349 -0.752 1.00 62.24 H new ATOM 0 HA GLN A 45 -9.274 -1.692 -0.246 1.00 70.32 H new ATOM 0 HB2 GLN A 45 -10.328 -1.887 1.941 1.00 22.44 H new ATOM 0 HB3 GLN A 45 -11.802 -2.497 1.217 1.00 22.44 H new ATOM 0 HG2 GLN A 45 -10.580 -4.509 0.397 1.00 41.35 H new ATOM 0 HG3 GLN A 45 -9.091 -3.896 1.089 1.00 41.35 H new ATOM 0 HE21 GLN A 45 -12.297 -5.243 1.812 1.00 43.51 H new ATOM 0 HE22 GLN A 45 -11.961 -5.655 3.497 1.00 43.51 H new ATOM 728 N GLN A 46 -9.926 -3.178 -2.140 1.00 60.41 N ATOM 729 CA GLN A 46 -10.177 -3.978 -3.351 1.00 3.04 C ATOM 730 C GLN A 46 -9.441 -5.322 -3.234 1.00 23.32 C ATOM 731 O GLN A 46 -8.674 -5.535 -2.292 1.00 72.14 O ATOM 732 CB GLN A 46 -9.702 -3.219 -4.614 1.00 62.50 C ATOM 733 CG GLN A 46 -8.180 -2.981 -4.688 1.00 61.33 C ATOM 734 CD GLN A 46 -7.725 -2.377 -6.011 1.00 12.43 C ATOM 735 OE1 GLN A 46 -7.453 -3.226 -6.990 1.00 11.42 O flip ATOM 736 NE2 GLN A 46 -7.649 -1.158 -6.159 1.00 50.12 N flip ATOM 0 H GLN A 46 -8.941 -3.153 -1.877 1.00 60.41 H new ATOM 0 HA GLN A 46 -11.248 -4.156 -3.443 1.00 3.04 H new ATOM 0 HB2 GLN A 46 -10.012 -3.779 -5.496 1.00 62.50 H new ATOM 0 HB3 GLN A 46 -10.209 -2.255 -4.654 1.00 62.50 H new ATOM 0 HG2 GLN A 46 -7.883 -2.319 -3.874 1.00 61.33 H new ATOM 0 HG3 GLN A 46 -7.664 -3.928 -4.533 1.00 61.33 H new ATOM 0 HE21 GLN A 46 -7.867 -0.535 -5.381 1.00 50.12 H new ATOM 0 HE22 GLN A 46 -7.369 -0.770 -7.060 1.00 50.12 H new ATOM 745 N VAL A 47 -9.699 -6.236 -4.181 1.00 40.32 N ATOM 746 CA VAL A 47 -9.009 -7.541 -4.259 1.00 0.33 C ATOM 747 C VAL A 47 -8.489 -7.766 -5.705 1.00 11.11 C ATOM 748 O VAL A 47 -9.184 -7.426 -6.670 1.00 51.04 O ATOM 749 CB VAL A 47 -9.966 -8.725 -3.826 1.00 41.01 C ATOM 750 CG1 VAL A 47 -9.224 -10.074 -3.811 1.00 42.43 C ATOM 751 CG2 VAL A 47 -10.642 -8.458 -2.454 1.00 3.41 C ATOM 0 H VAL A 47 -10.391 -6.095 -4.917 1.00 40.32 H new ATOM 0 HA VAL A 47 -8.167 -7.529 -3.567 1.00 0.33 H new ATOM 0 HB VAL A 47 -10.755 -8.778 -4.577 1.00 41.01 H new ATOM 0 HG11 VAL A 47 -9.912 -10.864 -3.509 1.00 42.43 H new ATOM 0 HG12 VAL A 47 -8.839 -10.289 -4.808 1.00 42.43 H new ATOM 0 HG13 VAL A 47 -8.395 -10.025 -3.105 1.00 42.43 H new ATOM 0 HG21 VAL A 47 -11.289 -9.297 -2.198 1.00 3.41 H new ATOM 0 HG22 VAL A 47 -9.876 -8.343 -1.687 1.00 3.41 H new ATOM 0 HG23 VAL A 47 -11.236 -7.546 -2.512 1.00 3.41 H new ATOM 761 N LEU A 48 -7.256 -8.315 -5.846 1.00 11.02 N ATOM 762 CA LEU A 48 -6.621 -8.608 -7.153 1.00 32.55 C ATOM 763 C LEU A 48 -6.134 -10.080 -7.199 1.00 2.41 C ATOM 764 O LEU A 48 -5.432 -10.515 -6.284 1.00 10.12 O ATOM 765 CB LEU A 48 -5.418 -7.646 -7.403 1.00 11.22 C ATOM 766 CG LEU A 48 -5.774 -6.144 -7.623 1.00 3.32 C ATOM 767 CD1 LEU A 48 -4.501 -5.291 -7.783 1.00 55.33 C ATOM 768 CD2 LEU A 48 -6.725 -5.967 -8.828 1.00 0.53 C ATOM 0 H LEU A 48 -6.672 -8.568 -5.049 1.00 11.02 H new ATOM 0 HA LEU A 48 -7.364 -8.455 -7.936 1.00 32.55 H new ATOM 0 HB2 LEU A 48 -4.740 -7.717 -6.553 1.00 11.22 H new ATOM 0 HB3 LEU A 48 -4.871 -8.000 -8.277 1.00 11.22 H new ATOM 0 HG LEU A 48 -6.299 -5.791 -6.735 1.00 3.32 H new ATOM 0 HD11 LEU A 48 -4.779 -4.248 -7.935 1.00 55.33 H new ATOM 0 HD12 LEU A 48 -3.890 -5.377 -6.884 1.00 55.33 H new ATOM 0 HD13 LEU A 48 -3.932 -5.644 -8.643 1.00 55.33 H new ATOM 0 HD21 LEU A 48 -6.956 -4.910 -8.957 1.00 0.53 H new ATOM 0 HD22 LEU A 48 -6.244 -6.346 -9.730 1.00 0.53 H new ATOM 0 HD23 LEU A 48 -7.647 -6.520 -8.648 1.00 0.53 H new ATOM 780 N PRO A 49 -6.490 -10.863 -8.272 1.00 50.10 N ATOM 781 CA PRO A 49 -6.077 -12.283 -8.399 1.00 20.12 C ATOM 782 C PRO A 49 -4.572 -12.445 -8.763 1.00 51.25 C ATOM 783 O PRO A 49 -4.129 -12.037 -9.846 1.00 54.43 O ATOM 784 CB PRO A 49 -7.013 -12.809 -9.519 1.00 14.11 C ATOM 785 CG PRO A 49 -7.298 -11.609 -10.380 1.00 22.14 C ATOM 786 CD PRO A 49 -7.318 -10.417 -9.439 1.00 65.24 C ATOM 0 HA PRO A 49 -6.169 -12.835 -7.464 1.00 20.12 H new ATOM 0 HB2 PRO A 49 -6.535 -13.603 -10.093 1.00 14.11 H new ATOM 0 HB3 PRO A 49 -7.931 -13.225 -9.104 1.00 14.11 H new ATOM 0 HG2 PRO A 49 -6.533 -11.488 -11.147 1.00 22.14 H new ATOM 0 HG3 PRO A 49 -8.252 -11.716 -10.895 1.00 22.14 H new ATOM 0 HD2 PRO A 49 -6.897 -9.529 -9.911 1.00 65.24 H new ATOM 0 HD3 PRO A 49 -8.334 -10.166 -9.135 1.00 65.24 H new ATOM 794 N TRP A 50 -3.792 -13.026 -7.830 1.00 11.03 N ATOM 795 CA TRP A 50 -2.352 -13.310 -8.033 1.00 15.44 C ATOM 796 C TRP A 50 -2.186 -14.830 -8.185 1.00 73.42 C ATOM 797 O TRP A 50 -2.638 -15.583 -7.321 1.00 62.32 O ATOM 798 CB TRP A 50 -1.529 -12.790 -6.822 1.00 0.12 C ATOM 799 CG TRP A 50 -0.041 -12.633 -7.100 1.00 12.23 C ATOM 800 CD1 TRP A 50 0.863 -13.622 -7.399 1.00 62.03 C ATOM 801 CD2 TRP A 50 0.714 -11.408 -7.080 1.00 74.15 C ATOM 802 NE1 TRP A 50 2.109 -13.078 -7.593 1.00 70.35 N ATOM 803 CE2 TRP A 50 2.047 -11.728 -7.387 1.00 33.23 C ATOM 804 CE3 TRP A 50 0.387 -10.071 -6.836 1.00 41.30 C ATOM 805 CZ2 TRP A 50 3.048 -10.768 -7.451 1.00 64.45 C ATOM 806 CZ3 TRP A 50 1.389 -9.116 -6.897 1.00 33.12 C ATOM 807 CH2 TRP A 50 2.704 -9.470 -7.202 1.00 61.54 C ATOM 0 H TRP A 50 -4.139 -13.312 -6.915 1.00 11.03 H new ATOM 0 HA TRP A 50 -1.987 -12.804 -8.927 1.00 15.44 H new ATOM 0 HB2 TRP A 50 -1.932 -11.827 -6.510 1.00 0.12 H new ATOM 0 HB3 TRP A 50 -1.660 -13.477 -5.986 1.00 0.12 H new ATOM 0 HD1 TRP A 50 0.629 -14.674 -7.471 1.00 62.03 H new ATOM 0 HE1 TRP A 50 2.948 -13.599 -7.850 1.00 70.35 H new ATOM 0 HE3 TRP A 50 -0.629 -9.787 -6.604 1.00 41.30 H new ATOM 0 HZ2 TRP A 50 4.066 -11.039 -7.690 1.00 64.45 H new ATOM 0 HZ3 TRP A 50 1.148 -8.081 -6.705 1.00 33.12 H new ATOM 0 HH2 TRP A 50 3.464 -8.703 -7.242 1.00 61.54 H new ATOM 818 N ARG A 51 -1.517 -15.278 -9.255 1.00 11.33 N ATOM 819 CA ARG A 51 -1.438 -16.712 -9.592 1.00 63.23 C ATOM 820 C ARG A 51 -0.107 -17.333 -9.125 1.00 25.14 C ATOM 821 O ARG A 51 0.950 -17.027 -9.681 1.00 61.12 O ATOM 822 CB ARG A 51 -1.635 -16.908 -11.119 1.00 4.23 C ATOM 823 CG ARG A 51 -3.004 -16.426 -11.645 1.00 33.35 C ATOM 824 CD ARG A 51 -4.182 -17.178 -11.004 1.00 75.13 C ATOM 825 NE ARG A 51 -5.472 -16.578 -11.358 1.00 14.24 N ATOM 826 CZ ARG A 51 -6.670 -17.046 -10.981 1.00 40.32 C ATOM 827 NH1 ARG A 51 -6.783 -18.152 -10.241 1.00 65.25 N ATOM 828 NH2 ARG A 51 -7.761 -16.405 -11.357 1.00 24.24 N ATOM 0 H ARG A 51 -1.020 -14.669 -9.906 1.00 11.33 H new ATOM 0 HA ARG A 51 -2.237 -17.230 -9.063 1.00 63.23 H new ATOM 0 HB2 ARG A 51 -0.846 -16.373 -11.648 1.00 4.23 H new ATOM 0 HB3 ARG A 51 -1.518 -17.965 -11.357 1.00 4.23 H new ATOM 0 HG2 ARG A 51 -3.109 -15.359 -11.449 1.00 33.35 H new ATOM 0 HG3 ARG A 51 -3.040 -16.556 -12.727 1.00 33.35 H new ATOM 0 HD2 ARG A 51 -4.166 -18.219 -11.325 1.00 75.13 H new ATOM 0 HD3 ARG A 51 -4.067 -17.177 -9.920 1.00 75.13 H new ATOM 0 HE ARG A 51 -5.457 -15.738 -11.937 1.00 14.24 H new ATOM 0 HH11 ARG A 51 -5.947 -18.659 -9.951 1.00 65.25 H new ATOM 0 HH12 ARG A 51 -7.705 -18.489 -9.966 1.00 65.25 H new ATOM 0 HH21 ARG A 51 -7.687 -15.563 -11.928 1.00 24.24 H new ATOM 0 HH22 ARG A 51 -8.678 -16.752 -11.076 1.00 24.24 H new ATOM 842 N GLY A 52 -0.194 -18.164 -8.067 1.00 63.33 N ATOM 843 CA GLY A 52 0.893 -19.043 -7.629 1.00 54.33 C ATOM 844 C GLY A 52 2.181 -18.328 -7.237 1.00 14.04 C ATOM 845 O GLY A 52 2.361 -17.959 -6.070 1.00 54.01 O ATOM 0 H GLY A 52 -1.032 -18.240 -7.491 1.00 63.33 H new ATOM 0 HA2 GLY A 52 0.546 -19.628 -6.777 1.00 54.33 H new ATOM 0 HA3 GLY A 52 1.116 -19.748 -8.430 1.00 54.33 H new ATOM 849 N GLU A 53 3.063 -18.142 -8.238 1.00 62.31 N ATOM 850 CA GLU A 53 4.413 -17.579 -8.063 1.00 3.54 C ATOM 851 C GLU A 53 4.340 -16.120 -7.578 1.00 13.05 C ATOM 852 O GLU A 53 4.249 -15.190 -8.385 1.00 24.22 O ATOM 853 CB GLU A 53 5.205 -17.678 -9.396 1.00 22.51 C ATOM 854 CG GLU A 53 5.332 -19.104 -9.964 1.00 70.21 C ATOM 855 CD GLU A 53 6.151 -19.155 -11.260 1.00 75.31 C ATOM 856 OE1 GLU A 53 7.397 -19.227 -11.184 1.00 22.45 O ATOM 857 OE2 GLU A 53 5.562 -19.091 -12.360 1.00 24.40 O ATOM 0 H GLU A 53 2.852 -18.383 -9.206 1.00 62.31 H new ATOM 0 HA GLU A 53 4.936 -18.157 -7.301 1.00 3.54 H new ATOM 0 HB2 GLU A 53 4.718 -17.047 -10.140 1.00 22.51 H new ATOM 0 HB3 GLU A 53 6.205 -17.273 -9.240 1.00 22.51 H new ATOM 0 HG2 GLU A 53 5.799 -19.747 -9.218 1.00 70.21 H new ATOM 0 HG3 GLU A 53 4.336 -19.506 -10.152 1.00 70.21 H new ATOM 864 N PHE A 54 4.321 -15.930 -6.252 1.00 33.33 N ATOM 865 CA PHE A 54 4.273 -14.593 -5.665 1.00 2.22 C ATOM 866 C PHE A 54 5.638 -13.902 -5.815 1.00 75.15 C ATOM 867 O PHE A 54 6.690 -14.547 -5.728 1.00 34.21 O ATOM 868 CB PHE A 54 3.819 -14.623 -4.186 1.00 32.35 C ATOM 869 CG PHE A 54 3.491 -13.231 -3.671 1.00 53.11 C ATOM 870 CD1 PHE A 54 2.284 -12.635 -4.010 1.00 45.03 C ATOM 871 CD2 PHE A 54 4.405 -12.496 -2.923 1.00 32.55 C ATOM 872 CE1 PHE A 54 1.987 -11.362 -3.602 1.00 61.44 C ATOM 873 CE2 PHE A 54 4.111 -11.216 -2.532 1.00 53.01 C ATOM 874 CZ PHE A 54 2.902 -10.649 -2.872 1.00 3.44 C ATOM 0 H PHE A 54 4.338 -16.688 -5.569 1.00 33.33 H new ATOM 0 HA PHE A 54 3.526 -14.015 -6.209 1.00 2.22 H new ATOM 0 HB2 PHE A 54 2.943 -15.264 -4.087 1.00 32.35 H new ATOM 0 HB3 PHE A 54 4.606 -15.062 -3.573 1.00 32.35 H new ATOM 0 HD1 PHE A 54 1.568 -13.184 -4.604 1.00 45.03 H new ATOM 0 HD2 PHE A 54 5.352 -12.937 -2.649 1.00 32.55 H new ATOM 0 HE1 PHE A 54 1.034 -10.921 -3.855 1.00 61.44 H new ATOM 0 HE2 PHE A 54 4.828 -10.650 -1.956 1.00 53.01 H new ATOM 0 HZ PHE A 54 2.675 -9.640 -2.562 1.00 3.44 H new ATOM 884 N HIS A 55 5.606 -12.580 -6.035 1.00 62.31 N ATOM 885 CA HIS A 55 6.803 -11.779 -6.307 1.00 34.30 C ATOM 886 C HIS A 55 6.909 -10.608 -5.303 1.00 4.33 C ATOM 887 O HIS A 55 6.436 -9.510 -5.602 1.00 23.43 O ATOM 888 CB HIS A 55 6.753 -11.245 -7.766 1.00 63.05 C ATOM 889 CG HIS A 55 6.695 -12.311 -8.836 1.00 43.32 C ATOM 890 ND1 HIS A 55 5.684 -12.391 -9.780 1.00 63.11 N ATOM 891 CD2 HIS A 55 7.556 -13.317 -9.133 1.00 24.31 C ATOM 892 CE1 HIS A 55 5.933 -13.393 -10.595 1.00 11.43 C ATOM 893 NE2 HIS A 55 7.057 -13.967 -10.227 1.00 41.13 N ATOM 0 H HIS A 55 4.743 -12.036 -6.029 1.00 62.31 H new ATOM 0 HA HIS A 55 7.686 -12.407 -6.190 1.00 34.30 H new ATOM 0 HB2 HIS A 55 5.881 -10.599 -7.871 1.00 63.05 H new ATOM 0 HB3 HIS A 55 7.632 -10.625 -7.940 1.00 63.05 H new ATOM 0 HD2 HIS A 55 8.466 -13.559 -8.604 1.00 24.31 H new ATOM 0 HE1 HIS A 55 5.316 -13.694 -11.429 1.00 11.43 H new ATOM 0 HE2 HIS A 55 7.488 -14.770 -10.685 1.00 41.13 H new ATOM 902 N PRO A 56 7.493 -10.832 -4.080 1.00 64.12 N ATOM 903 CA PRO A 56 7.683 -9.747 -3.076 1.00 70.41 C ATOM 904 C PRO A 56 8.865 -8.824 -3.437 1.00 62.24 C ATOM 905 O PRO A 56 8.855 -7.634 -3.114 1.00 72.32 O ATOM 906 CB PRO A 56 7.929 -10.539 -1.769 1.00 4.41 C ATOM 907 CG PRO A 56 8.612 -11.799 -2.217 1.00 15.45 C ATOM 908 CD PRO A 56 8.004 -12.141 -3.569 1.00 24.21 C ATOM 0 HA PRO A 56 6.835 -9.065 -3.009 1.00 70.41 H new ATOM 0 HB2 PRO A 56 8.552 -9.975 -1.074 1.00 4.41 H new ATOM 0 HB3 PRO A 56 6.993 -10.756 -1.254 1.00 4.41 H new ATOM 0 HG2 PRO A 56 9.689 -11.652 -2.298 1.00 15.45 H new ATOM 0 HG3 PRO A 56 8.453 -12.606 -1.501 1.00 15.45 H new ATOM 0 HD2 PRO A 56 8.746 -12.570 -4.243 1.00 24.21 H new ATOM 0 HD3 PRO A 56 7.201 -12.872 -3.472 1.00 24.21 H new ATOM 916 N ASP A 57 9.868 -9.407 -4.125 1.00 43.34 N ATOM 917 CA ASP A 57 11.050 -8.675 -4.606 1.00 65.00 C ATOM 918 C ASP A 57 10.658 -7.716 -5.725 1.00 45.01 C ATOM 919 O ASP A 57 10.972 -6.529 -5.667 1.00 71.33 O ATOM 920 CB ASP A 57 12.137 -9.654 -5.116 1.00 60.14 C ATOM 921 CG ASP A 57 12.669 -10.578 -4.021 1.00 44.52 C ATOM 922 OD1 ASP A 57 13.594 -10.162 -3.286 1.00 54.01 O ATOM 923 OD2 ASP A 57 12.158 -11.720 -3.875 1.00 64.11 O ATOM 0 H ASP A 57 9.878 -10.399 -4.361 1.00 43.34 H new ATOM 0 HA ASP A 57 11.458 -8.106 -3.770 1.00 65.00 H new ATOM 0 HB2 ASP A 57 11.724 -10.258 -5.924 1.00 60.14 H new ATOM 0 HB3 ASP A 57 12.965 -9.083 -5.536 1.00 60.14 H new ATOM 928 N THR A 58 9.926 -8.251 -6.717 1.00 31.01 N ATOM 929 CA THR A 58 9.489 -7.498 -7.899 1.00 3.22 C ATOM 930 C THR A 58 8.450 -6.428 -7.495 1.00 61.45 C ATOM 931 O THR A 58 8.424 -5.328 -8.062 1.00 75.43 O ATOM 932 CB THR A 58 8.900 -8.471 -8.971 1.00 4.13 C ATOM 933 OG1 THR A 58 9.824 -9.545 -9.197 1.00 44.33 O ATOM 934 CG2 THR A 58 8.603 -7.781 -10.311 1.00 13.23 C ATOM 0 H THR A 58 9.620 -9.224 -6.719 1.00 31.01 H new ATOM 0 HA THR A 58 10.350 -6.991 -8.335 1.00 3.22 H new ATOM 0 HB THR A 58 7.953 -8.841 -8.577 1.00 4.13 H new ATOM 0 HG1 THR A 58 9.456 -10.157 -9.868 1.00 44.33 H new ATOM 0 HG21 THR A 58 8.196 -8.509 -11.013 1.00 13.23 H new ATOM 0 HG22 THR A 58 7.878 -6.982 -10.156 1.00 13.23 H new ATOM 0 HG23 THR A 58 9.524 -7.361 -10.716 1.00 13.23 H new ATOM 942 N LEU A 59 7.616 -6.777 -6.483 1.00 4.20 N ATOM 943 CA LEU A 59 6.653 -5.849 -5.872 1.00 44.22 C ATOM 944 C LEU A 59 7.381 -4.663 -5.227 1.00 20.52 C ATOM 945 O LEU A 59 7.105 -3.520 -5.578 1.00 72.22 O ATOM 946 CB LEU A 59 5.770 -6.593 -4.836 1.00 74.01 C ATOM 947 CG LEU A 59 4.696 -5.752 -4.072 1.00 24.32 C ATOM 948 CD1 LEU A 59 3.697 -5.057 -5.029 1.00 31.11 C ATOM 949 CD2 LEU A 59 3.961 -6.638 -3.052 1.00 5.30 C ATOM 0 H LEU A 59 7.599 -7.711 -6.074 1.00 4.20 H new ATOM 0 HA LEU A 59 6.002 -5.457 -6.653 1.00 44.22 H new ATOM 0 HB2 LEU A 59 5.258 -7.406 -5.351 1.00 74.01 H new ATOM 0 HB3 LEU A 59 6.429 -7.049 -4.097 1.00 74.01 H new ATOM 0 HG LEU A 59 5.218 -4.956 -3.541 1.00 24.32 H new ATOM 0 HD11 LEU A 59 2.973 -4.487 -4.447 1.00 31.11 H new ATOM 0 HD12 LEU A 59 4.238 -4.385 -5.694 1.00 31.11 H new ATOM 0 HD13 LEU A 59 3.175 -5.810 -5.620 1.00 31.11 H new ATOM 0 HD21 LEU A 59 3.215 -6.044 -2.525 1.00 5.30 H new ATOM 0 HD22 LEU A 59 3.469 -7.460 -3.572 1.00 5.30 H new ATOM 0 HD23 LEU A 59 4.678 -7.039 -2.335 1.00 5.30 H new ATOM 961 N GLN A 60 8.369 -4.968 -4.350 1.00 32.34 N ATOM 962 CA GLN A 60 9.085 -3.950 -3.558 1.00 13.12 C ATOM 963 C GLN A 60 9.862 -2.993 -4.474 1.00 0.51 C ATOM 964 O GLN A 60 9.843 -1.781 -4.264 1.00 31.53 O ATOM 965 CB GLN A 60 10.039 -4.615 -2.531 1.00 3.12 C ATOM 966 CG GLN A 60 10.573 -3.641 -1.461 1.00 14.53 C ATOM 967 CD GLN A 60 11.381 -4.341 -0.370 1.00 71.24 C ATOM 968 OE1 GLN A 60 10.816 -4.842 0.600 1.00 3.01 O ATOM 969 NE2 GLN A 60 12.699 -4.347 -0.492 1.00 32.14 N ATOM 0 H GLN A 60 8.687 -5.922 -4.176 1.00 32.34 H new ATOM 0 HA GLN A 60 8.343 -3.371 -3.008 1.00 13.12 H new ATOM 0 HB2 GLN A 60 9.514 -5.432 -2.036 1.00 3.12 H new ATOM 0 HB3 GLN A 60 10.883 -5.054 -3.063 1.00 3.12 H new ATOM 0 HG2 GLN A 60 11.197 -2.888 -1.942 1.00 14.53 H new ATOM 0 HG3 GLN A 60 9.734 -3.116 -1.004 1.00 14.53 H new ATOM 0 HE21 GLN A 60 13.137 -3.923 -1.309 1.00 32.14 H new ATOM 0 HE22 GLN A 60 13.276 -4.776 0.231 1.00 32.14 H new ATOM 978 N MET A 61 10.506 -3.567 -5.511 1.00 11.30 N ATOM 979 CA MET A 61 11.264 -2.806 -6.520 1.00 34.44 C ATOM 980 C MET A 61 10.345 -1.831 -7.287 1.00 13.14 C ATOM 981 O MET A 61 10.712 -0.674 -7.500 1.00 51.40 O ATOM 982 CB MET A 61 11.977 -3.768 -7.512 1.00 53.34 C ATOM 983 CG MET A 61 13.122 -4.591 -6.911 1.00 52.00 C ATOM 984 SD MET A 61 13.862 -5.702 -8.128 1.00 11.54 S ATOM 985 CE MET A 61 15.181 -6.459 -7.186 1.00 15.05 C ATOM 0 H MET A 61 10.514 -4.574 -5.671 1.00 11.30 H new ATOM 0 HA MET A 61 12.021 -2.221 -5.997 1.00 34.44 H new ATOM 0 HB2 MET A 61 11.236 -4.453 -7.925 1.00 53.34 H new ATOM 0 HB3 MET A 61 12.369 -3.182 -8.343 1.00 53.34 H new ATOM 0 HG2 MET A 61 13.886 -3.919 -6.520 1.00 52.00 H new ATOM 0 HG3 MET A 61 12.748 -5.172 -6.068 1.00 52.00 H new ATOM 0 HE1 MET A 61 15.719 -7.167 -7.817 1.00 15.05 H new ATOM 0 HE2 MET A 61 15.868 -5.688 -6.838 1.00 15.05 H new ATOM 0 HE3 MET A 61 14.761 -6.984 -6.328 1.00 15.05 H new ATOM 995 N ALA A 62 9.141 -2.315 -7.668 1.00 42.41 N ATOM 996 CA ALA A 62 8.138 -1.507 -8.393 1.00 34.32 C ATOM 997 C ALA A 62 7.653 -0.329 -7.519 1.00 33.05 C ATOM 998 O ALA A 62 7.520 0.804 -8.001 1.00 15.22 O ATOM 999 CB ALA A 62 6.959 -2.397 -8.823 1.00 1.30 C ATOM 0 H ALA A 62 8.840 -3.272 -7.482 1.00 42.41 H new ATOM 0 HA ALA A 62 8.600 -1.089 -9.287 1.00 34.32 H new ATOM 0 HB1 ALA A 62 6.224 -1.794 -9.357 1.00 1.30 H new ATOM 0 HB2 ALA A 62 7.321 -3.190 -9.477 1.00 1.30 H new ATOM 0 HB3 ALA A 62 6.495 -2.838 -7.941 1.00 1.30 H new ATOM 1005 N LEU A 63 7.450 -0.627 -6.213 1.00 65.20 N ATOM 1006 CA LEU A 63 7.037 0.359 -5.191 1.00 72.11 C ATOM 1007 C LEU A 63 8.053 1.509 -5.103 1.00 3.32 C ATOM 1008 O LEU A 63 7.670 2.674 -5.094 1.00 64.40 O ATOM 1009 CB LEU A 63 6.867 -0.339 -3.809 1.00 5.25 C ATOM 1010 CG LEU A 63 5.755 -1.428 -3.746 1.00 22.10 C ATOM 1011 CD1 LEU A 63 5.855 -2.256 -2.457 1.00 2.21 C ATOM 1012 CD2 LEU A 63 4.352 -0.812 -3.911 1.00 14.13 C ATOM 0 H LEU A 63 7.570 -1.568 -5.838 1.00 65.20 H new ATOM 0 HA LEU A 63 6.076 0.783 -5.484 1.00 72.11 H new ATOM 0 HB2 LEU A 63 7.817 -0.797 -3.532 1.00 5.25 H new ATOM 0 HB3 LEU A 63 6.650 0.423 -3.060 1.00 5.25 H new ATOM 0 HG LEU A 63 5.914 -2.106 -4.585 1.00 22.10 H new ATOM 0 HD11 LEU A 63 5.065 -3.007 -2.445 1.00 2.21 H new ATOM 0 HD12 LEU A 63 6.826 -2.750 -2.416 1.00 2.21 H new ATOM 0 HD13 LEU A 63 5.746 -1.600 -1.594 1.00 2.21 H new ATOM 0 HD21 LEU A 63 3.601 -1.600 -3.862 1.00 14.13 H new ATOM 0 HD22 LEU A 63 4.175 -0.091 -3.113 1.00 14.13 H new ATOM 0 HD23 LEU A 63 4.287 -0.308 -4.875 1.00 14.13 H new ATOM 1024 N GLN A 64 9.352 1.155 -5.069 1.00 13.11 N ATOM 1025 CA GLN A 64 10.462 2.137 -5.073 1.00 21.34 C ATOM 1026 C GLN A 64 10.382 3.088 -6.287 1.00 72.23 C ATOM 1027 O GLN A 64 10.575 4.302 -6.136 1.00 2.23 O ATOM 1028 CB GLN A 64 11.831 1.407 -5.065 1.00 60.13 C ATOM 1029 CG GLN A 64 12.031 0.429 -3.884 1.00 71.12 C ATOM 1030 CD GLN A 64 12.264 1.076 -2.512 1.00 73.24 C ATOM 1031 OE1 GLN A 64 11.839 2.207 -2.242 1.00 71.43 O ATOM 1032 NE2 GLN A 64 12.899 0.327 -1.610 1.00 5.30 N ATOM 0 H GLN A 64 9.665 0.185 -5.038 1.00 13.11 H new ATOM 0 HA GLN A 64 10.367 2.738 -4.169 1.00 21.34 H new ATOM 0 HB2 GLN A 64 11.940 0.856 -5.999 1.00 60.13 H new ATOM 0 HB3 GLN A 64 12.626 2.153 -5.041 1.00 60.13 H new ATOM 0 HG2 GLN A 64 11.153 -0.214 -3.817 1.00 71.12 H new ATOM 0 HG3 GLN A 64 12.881 -0.215 -4.110 1.00 71.12 H new ATOM 0 HE21 GLN A 64 13.237 -0.601 -1.865 1.00 5.30 H new ATOM 0 HE22 GLN A 64 13.047 0.682 -0.665 1.00 5.30 H new ATOM 1041 N VAL A 65 10.058 2.535 -7.488 1.00 51.33 N ATOM 1042 CA VAL A 65 9.968 3.322 -8.747 1.00 14.11 C ATOM 1043 C VAL A 65 8.872 4.410 -8.648 1.00 43.22 C ATOM 1044 O VAL A 65 9.004 5.494 -9.220 1.00 4.53 O ATOM 1045 CB VAL A 65 9.691 2.375 -9.988 1.00 34.31 C ATOM 1046 CG1 VAL A 65 9.540 3.162 -11.318 1.00 64.22 C ATOM 1047 CG2 VAL A 65 10.794 1.295 -10.116 1.00 50.11 C ATOM 0 H VAL A 65 9.854 1.543 -7.609 1.00 51.33 H new ATOM 0 HA VAL A 65 10.928 3.816 -8.896 1.00 14.11 H new ATOM 0 HB VAL A 65 8.737 1.883 -9.799 1.00 34.31 H new ATOM 0 HG11 VAL A 65 9.352 2.464 -12.134 1.00 64.22 H new ATOM 0 HG12 VAL A 65 8.705 3.858 -11.236 1.00 64.22 H new ATOM 0 HG13 VAL A 65 10.457 3.716 -11.519 1.00 64.22 H new ATOM 0 HG21 VAL A 65 10.582 0.658 -10.975 1.00 50.11 H new ATOM 0 HG22 VAL A 65 11.762 1.778 -10.253 1.00 50.11 H new ATOM 0 HG23 VAL A 65 10.816 0.688 -9.211 1.00 50.11 H new ATOM 1057 N VAL A 66 7.800 4.113 -7.892 1.00 32.10 N ATOM 1058 CA VAL A 66 6.638 5.015 -7.742 1.00 32.11 C ATOM 1059 C VAL A 66 6.600 5.712 -6.355 1.00 72.34 C ATOM 1060 O VAL A 66 5.576 6.309 -5.996 1.00 13.14 O ATOM 1061 CB VAL A 66 5.300 4.226 -8.003 1.00 52.33 C ATOM 1062 CG1 VAL A 66 5.259 3.662 -9.439 1.00 3.45 C ATOM 1063 CG2 VAL A 66 5.110 3.102 -6.970 1.00 1.24 C ATOM 0 H VAL A 66 7.712 3.243 -7.367 1.00 32.10 H new ATOM 0 HA VAL A 66 6.743 5.803 -8.487 1.00 32.11 H new ATOM 0 HB VAL A 66 4.474 4.929 -7.893 1.00 52.33 H new ATOM 0 HG11 VAL A 66 4.324 3.122 -9.591 1.00 3.45 H new ATOM 0 HG12 VAL A 66 5.325 4.482 -10.154 1.00 3.45 H new ATOM 0 HG13 VAL A 66 6.099 2.983 -9.587 1.00 3.45 H new ATOM 0 HG21 VAL A 66 4.179 2.574 -7.174 1.00 1.24 H new ATOM 0 HG22 VAL A 66 5.945 2.404 -7.034 1.00 1.24 H new ATOM 0 HG23 VAL A 66 5.072 3.531 -5.969 1.00 1.24 H new ATOM 1073 N ASN A 67 7.723 5.646 -5.599 1.00 5.10 N ATOM 1074 CA ASN A 67 7.898 6.346 -4.290 1.00 64.50 C ATOM 1075 C ASN A 67 6.916 5.863 -3.195 1.00 62.23 C ATOM 1076 O ASN A 67 6.516 6.634 -2.310 1.00 74.34 O ATOM 1077 CB ASN A 67 7.834 7.904 -4.463 1.00 4.32 C ATOM 1078 CG ASN A 67 8.852 8.471 -5.465 1.00 22.43 C ATOM 1079 OD1 ASN A 67 10.028 7.853 -5.582 1.00 74.11 O flip ATOM 1080 ND2 ASN A 67 8.590 9.479 -6.128 1.00 63.53 N flip ATOM 0 H ASN A 67 8.541 5.104 -5.877 1.00 5.10 H new ATOM 0 HA ASN A 67 8.895 6.078 -3.939 1.00 64.50 H new ATOM 0 HB2 ASN A 67 6.831 8.181 -4.786 1.00 4.32 H new ATOM 0 HB3 ASN A 67 7.997 8.373 -3.493 1.00 4.32 H new ATOM 0 HD21 ASN A 67 7.685 9.937 -6.024 1.00 63.53 H new ATOM 0 HD22 ASN A 67 9.279 9.854 -6.780 1.00 63.53 H new ATOM 1087 N ILE A 68 6.568 4.567 -3.235 1.00 71.55 N ATOM 1088 CA ILE A 68 5.804 3.900 -2.166 1.00 40.32 C ATOM 1089 C ILE A 68 6.808 3.227 -1.203 1.00 0.14 C ATOM 1090 O ILE A 68 7.462 2.237 -1.555 1.00 21.52 O ATOM 1091 CB ILE A 68 4.785 2.836 -2.724 1.00 64.04 C ATOM 1092 CG1 ILE A 68 3.773 3.491 -3.715 1.00 13.20 C ATOM 1093 CG2 ILE A 68 4.040 2.117 -1.570 1.00 3.00 C ATOM 1094 CD1 ILE A 68 2.907 4.574 -3.119 1.00 42.14 C ATOM 0 H ILE A 68 6.809 3.950 -4.011 1.00 71.55 H new ATOM 0 HA ILE A 68 5.209 4.651 -1.645 1.00 40.32 H new ATOM 0 HB ILE A 68 5.356 2.088 -3.273 1.00 64.04 H new ATOM 0 HG12 ILE A 68 4.329 3.911 -4.553 1.00 13.20 H new ATOM 0 HG13 ILE A 68 3.127 2.712 -4.119 1.00 13.20 H new ATOM 0 HG21 ILE A 68 3.343 1.388 -1.985 1.00 3.00 H new ATOM 0 HG22 ILE A 68 4.762 1.607 -0.933 1.00 3.00 H new ATOM 0 HG23 ILE A 68 3.490 2.850 -0.980 1.00 3.00 H new ATOM 0 HD11 ILE A 68 2.238 4.967 -3.884 1.00 42.14 H new ATOM 0 HD12 ILE A 68 2.318 4.160 -2.300 1.00 42.14 H new ATOM 0 HD13 ILE A 68 3.538 5.378 -2.741 1.00 42.14 H new ATOM 1106 N GLN A 69 6.958 3.837 -0.031 1.00 10.01 N ATOM 1107 CA GLN A 69 7.852 3.390 1.048 1.00 13.21 C ATOM 1108 C GLN A 69 7.378 2.040 1.640 1.00 14.12 C ATOM 1109 O GLN A 69 6.212 1.893 1.988 1.00 32.21 O ATOM 1110 CB GLN A 69 7.867 4.513 2.117 1.00 72.42 C ATOM 1111 CG GLN A 69 8.700 4.237 3.368 1.00 21.44 C ATOM 1112 CD GLN A 69 8.849 5.484 4.237 1.00 12.23 C ATOM 1113 OE1 GLN A 69 9.807 6.246 4.083 1.00 53.24 O ATOM 1114 NE2 GLN A 69 7.898 5.721 5.133 1.00 74.43 N ATOM 0 H GLN A 69 6.446 4.686 0.208 1.00 10.01 H new ATOM 0 HA GLN A 69 8.860 3.216 0.671 1.00 13.21 H new ATOM 0 HB2 GLN A 69 8.239 5.426 1.651 1.00 72.42 H new ATOM 0 HB3 GLN A 69 6.840 4.708 2.425 1.00 72.42 H new ATOM 0 HG2 GLN A 69 8.231 3.443 3.949 1.00 21.44 H new ATOM 0 HG3 GLN A 69 9.687 3.878 3.076 1.00 21.44 H new ATOM 0 HE21 GLN A 69 7.119 5.070 5.235 1.00 74.43 H new ATOM 0 HE22 GLN A 69 7.946 6.554 5.720 1.00 74.43 H new ATOM 1123 N THR A 70 8.296 1.066 1.757 1.00 24.24 N ATOM 1124 CA THR A 70 7.981 -0.284 2.253 1.00 21.24 C ATOM 1125 C THR A 70 8.343 -0.365 3.751 1.00 55.21 C ATOM 1126 O THR A 70 9.526 -0.398 4.112 1.00 22.14 O ATOM 1127 CB THR A 70 8.735 -1.386 1.424 1.00 52.44 C ATOM 1128 OG1 THR A 70 8.445 -1.211 0.023 1.00 40.04 O ATOM 1129 CG2 THR A 70 8.325 -2.814 1.848 1.00 72.43 C ATOM 0 H THR A 70 9.278 1.193 1.510 1.00 24.24 H new ATOM 0 HA THR A 70 6.914 -0.472 2.131 1.00 21.24 H new ATOM 0 HB THR A 70 9.802 -1.271 1.616 1.00 52.44 H new ATOM 0 HG1 THR A 70 9.279 -1.047 -0.466 1.00 40.04 H new ATOM 0 HG21 THR A 70 8.871 -3.542 1.249 1.00 72.43 H new ATOM 0 HG22 THR A 70 8.560 -2.962 2.902 1.00 72.43 H new ATOM 0 HG23 THR A 70 7.254 -2.946 1.693 1.00 72.43 H new ATOM 1137 N ILE A 71 7.305 -0.345 4.605 1.00 64.55 N ATOM 1138 CA ILE A 71 7.447 -0.360 6.077 1.00 73.04 C ATOM 1139 C ILE A 71 7.694 -1.800 6.551 1.00 42.23 C ATOM 1140 O ILE A 71 8.633 -2.073 7.303 1.00 65.02 O ATOM 1141 CB ILE A 71 6.159 0.235 6.771 1.00 44.10 C ATOM 1142 CG1 ILE A 71 5.848 1.662 6.222 1.00 4.14 C ATOM 1143 CG2 ILE A 71 6.275 0.245 8.320 1.00 55.22 C ATOM 1144 CD1 ILE A 71 6.955 2.678 6.424 1.00 74.15 C ATOM 0 H ILE A 71 6.334 -0.318 4.293 1.00 64.55 H new ATOM 0 HA ILE A 71 8.296 0.263 6.357 1.00 73.04 H new ATOM 0 HB ILE A 71 5.325 -0.422 6.523 1.00 44.10 H new ATOM 0 HG12 ILE A 71 5.634 1.587 5.156 1.00 4.14 H new ATOM 0 HG13 ILE A 71 4.943 2.032 6.704 1.00 4.14 H new ATOM 0 HG21 ILE A 71 5.365 0.663 8.750 1.00 55.22 H new ATOM 0 HG22 ILE A 71 6.412 -0.774 8.681 1.00 55.22 H new ATOM 0 HG23 ILE A 71 7.129 0.853 8.617 1.00 55.22 H new ATOM 0 HD11 ILE A 71 6.647 3.638 6.011 1.00 74.15 H new ATOM 0 HD12 ILE A 71 7.157 2.789 7.489 1.00 74.15 H new ATOM 0 HD13 ILE A 71 7.858 2.338 5.917 1.00 74.15 H new ATOM 1156 N ALA A 72 6.840 -2.717 6.088 1.00 1.23 N ATOM 1157 CA ALA A 72 6.970 -4.153 6.365 1.00 53.23 C ATOM 1158 C ALA A 72 6.606 -4.943 5.107 1.00 74.44 C ATOM 1159 O ALA A 72 5.837 -4.461 4.264 1.00 50.24 O ATOM 1160 CB ALA A 72 6.069 -4.561 7.547 1.00 44.30 C ATOM 0 H ALA A 72 6.034 -2.484 5.507 1.00 1.23 H new ATOM 0 HA ALA A 72 8.001 -4.376 6.641 1.00 53.23 H new ATOM 0 HB1 ALA A 72 6.179 -5.629 7.737 1.00 44.30 H new ATOM 0 HB2 ALA A 72 6.360 -4.002 8.436 1.00 44.30 H new ATOM 0 HB3 ALA A 72 5.029 -4.341 7.305 1.00 44.30 H new ATOM 1166 N MET A 73 7.185 -6.144 4.982 1.00 34.51 N ATOM 1167 CA MET A 73 6.848 -7.103 3.920 1.00 40.44 C ATOM 1168 C MET A 73 7.207 -8.515 4.398 1.00 71.33 C ATOM 1169 O MET A 73 8.331 -8.745 4.863 1.00 54.31 O ATOM 1170 CB MET A 73 7.587 -6.764 2.592 1.00 43.34 C ATOM 1171 CG MET A 73 7.288 -7.730 1.430 1.00 55.24 C ATOM 1172 SD MET A 73 7.955 -7.183 -0.158 1.00 33.43 S ATOM 1173 CE MET A 73 6.952 -5.737 -0.508 1.00 13.22 C ATOM 0 H MET A 73 7.906 -6.481 5.620 1.00 34.51 H new ATOM 0 HA MET A 73 5.779 -7.045 3.713 1.00 40.44 H new ATOM 0 HB2 MET A 73 7.315 -5.754 2.287 1.00 43.34 H new ATOM 0 HB3 MET A 73 8.661 -6.762 2.779 1.00 43.34 H new ATOM 0 HG2 MET A 73 7.700 -8.710 1.669 1.00 55.24 H new ATOM 0 HG3 MET A 73 6.209 -7.851 1.338 1.00 55.24 H new ATOM 0 HE1 MET A 73 7.065 -5.461 -1.556 1.00 13.22 H new ATOM 0 HE2 MET A 73 5.905 -5.962 -0.303 1.00 13.22 H new ATOM 0 HE3 MET A 73 7.275 -4.909 0.122 1.00 13.22 H new ATOM 1183 N SER A 74 6.242 -9.447 4.296 1.00 70.34 N ATOM 1184 CA SER A 74 6.436 -10.852 4.689 1.00 73.14 C ATOM 1185 C SER A 74 7.194 -11.612 3.578 1.00 14.54 C ATOM 1186 O SER A 74 7.455 -11.059 2.494 1.00 13.11 O ATOM 1187 CB SER A 74 5.064 -11.507 5.009 1.00 41.14 C ATOM 1188 OG SER A 74 4.404 -10.835 6.069 1.00 35.41 O ATOM 0 H SER A 74 5.308 -9.246 3.939 1.00 70.34 H new ATOM 0 HA SER A 74 7.043 -10.900 5.593 1.00 73.14 H new ATOM 0 HB2 SER A 74 4.435 -11.491 4.119 1.00 41.14 H new ATOM 0 HB3 SER A 74 5.212 -12.553 5.276 1.00 41.14 H new ATOM 0 HG SER A 74 4.012 -10.002 5.734 1.00 35.41 H new ATOM 1194 N ARG A 75 7.521 -12.879 3.849 1.00 41.31 N ATOM 1195 CA ARG A 75 8.389 -13.696 2.984 1.00 25.24 C ATOM 1196 C ARG A 75 7.530 -14.551 2.033 1.00 1.35 C ATOM 1197 O ARG A 75 6.382 -14.889 2.358 1.00 11.34 O ATOM 1198 CB ARG A 75 9.313 -14.557 3.892 1.00 34.41 C ATOM 1199 CG ARG A 75 10.180 -13.695 4.846 1.00 42.04 C ATOM 1200 CD ARG A 75 10.934 -14.506 5.910 1.00 45.44 C ATOM 1201 NE ARG A 75 11.963 -15.391 5.334 1.00 54.43 N ATOM 1202 CZ ARG A 75 12.854 -16.108 6.043 1.00 51.10 C ATOM 1203 NH1 ARG A 75 12.868 -16.077 7.375 1.00 33.34 N ATOM 1204 NH2 ARG A 75 13.738 -16.862 5.408 1.00 64.41 N ATOM 0 H ARG A 75 7.191 -13.373 4.678 1.00 41.31 H new ATOM 0 HA ARG A 75 9.018 -13.066 2.354 1.00 25.24 H new ATOM 0 HB2 ARG A 75 8.702 -15.242 4.481 1.00 34.41 H new ATOM 0 HB3 ARG A 75 9.964 -15.168 3.267 1.00 34.41 H new ATOM 0 HG2 ARG A 75 10.902 -13.131 4.255 1.00 42.04 H new ATOM 0 HG3 ARG A 75 9.539 -12.968 5.345 1.00 42.04 H new ATOM 0 HD2 ARG A 75 11.404 -13.821 6.616 1.00 45.44 H new ATOM 0 HD3 ARG A 75 10.221 -15.106 6.475 1.00 45.44 H new ATOM 0 HE ARG A 75 12.003 -15.466 4.318 1.00 54.43 H new ATOM 0 HH11 ARG A 75 12.194 -15.501 7.879 1.00 33.34 H new ATOM 0 HH12 ARG A 75 13.553 -16.629 7.891 1.00 33.34 H new ATOM 0 HH21 ARG A 75 13.740 -16.896 4.389 1.00 64.41 H new ATOM 0 HH22 ARG A 75 14.417 -17.408 5.938 1.00 64.41 H new ATOM 1218 N ALA A 76 8.099 -14.874 0.856 1.00 62.44 N ATOM 1219 CA ALA A 76 7.404 -15.611 -0.217 1.00 51.45 C ATOM 1220 C ALA A 76 7.175 -17.063 0.221 1.00 31.32 C ATOM 1221 O ALA A 76 8.118 -17.736 0.653 1.00 61.10 O ATOM 1222 CB ALA A 76 8.213 -15.559 -1.535 1.00 62.42 C ATOM 0 H ALA A 76 9.061 -14.629 0.621 1.00 62.44 H new ATOM 0 HA ALA A 76 6.439 -15.138 -0.401 1.00 51.45 H new ATOM 0 HB1 ALA A 76 7.680 -16.109 -2.311 1.00 62.42 H new ATOM 0 HB2 ALA A 76 8.336 -14.521 -1.846 1.00 62.42 H new ATOM 0 HB3 ALA A 76 9.193 -16.010 -1.378 1.00 62.42 H new ATOM 1228 N GLY A 77 5.931 -17.535 0.077 1.00 73.23 N ATOM 1229 CA GLY A 77 5.513 -18.852 0.553 1.00 40.13 C ATOM 1230 C GLY A 77 4.802 -18.789 1.897 1.00 22.13 C ATOM 1231 O GLY A 77 4.050 -19.707 2.243 1.00 3.14 O ATOM 0 H GLY A 77 5.184 -17.008 -0.376 1.00 73.23 H new ATOM 0 HA2 GLY A 77 4.851 -19.307 -0.183 1.00 40.13 H new ATOM 0 HA3 GLY A 77 6.387 -19.498 0.638 1.00 40.13 H new ATOM 1235 N SER A 78 5.029 -17.695 2.651 1.00 12.44 N ATOM 1236 CA SER A 78 4.394 -17.495 3.951 1.00 25.32 C ATOM 1237 C SER A 78 3.041 -16.811 3.744 1.00 22.24 C ATOM 1238 O SER A 78 2.983 -15.683 3.255 1.00 71.51 O ATOM 1239 CB SER A 78 5.307 -16.632 4.854 1.00 30.52 C ATOM 1240 OG SER A 78 6.594 -17.209 4.988 1.00 52.24 O ATOM 0 H SER A 78 5.652 -16.937 2.372 1.00 12.44 H new ATOM 0 HA SER A 78 4.238 -18.456 4.440 1.00 25.32 H new ATOM 0 HB2 SER A 78 5.397 -15.631 4.432 1.00 30.52 H new ATOM 0 HB3 SER A 78 4.851 -16.523 5.838 1.00 30.52 H new ATOM 0 HG SER A 78 7.149 -16.641 5.562 1.00 52.24 H new ATOM 1246 N ARG A 79 1.955 -17.519 4.096 1.00 12.41 N ATOM 1247 CA ARG A 79 0.581 -16.981 4.088 1.00 52.03 C ATOM 1248 C ARG A 79 -0.040 -17.202 5.492 1.00 53.42 C ATOM 1249 O ARG A 79 0.270 -18.215 6.123 1.00 61.35 O ATOM 1250 CB ARG A 79 -0.304 -17.638 2.976 1.00 53.23 C ATOM 1251 CG ARG A 79 -0.138 -17.054 1.547 1.00 33.23 C ATOM 1252 CD ARG A 79 1.109 -17.553 0.805 1.00 64.43 C ATOM 1253 NE ARG A 79 1.051 -19.000 0.537 1.00 72.53 N ATOM 1254 CZ ARG A 79 1.761 -19.644 -0.402 1.00 41.24 C ATOM 1255 NH1 ARG A 79 2.606 -18.988 -1.200 1.00 74.30 N ATOM 1256 NH2 ARG A 79 1.618 -20.958 -0.549 1.00 4.21 N ATOM 0 H ARG A 79 2.005 -18.492 4.398 1.00 12.41 H new ATOM 0 HA ARG A 79 0.621 -15.916 3.858 1.00 52.03 H new ATOM 0 HB2 ARG A 79 -0.078 -18.704 2.941 1.00 53.23 H new ATOM 0 HB3 ARG A 79 -1.350 -17.543 3.267 1.00 53.23 H new ATOM 0 HG2 ARG A 79 -1.021 -17.304 0.959 1.00 33.23 H new ATOM 0 HG3 ARG A 79 -0.097 -15.967 1.613 1.00 33.23 H new ATOM 0 HD2 ARG A 79 1.210 -17.014 -0.137 1.00 64.43 H new ATOM 0 HD3 ARG A 79 1.997 -17.329 1.397 1.00 64.43 H new ATOM 0 HE ARG A 79 0.420 -19.558 1.112 1.00 72.53 H new ATOM 0 HH11 ARG A 79 2.721 -17.979 -1.102 1.00 74.30 H new ATOM 0 HH12 ARG A 79 3.137 -19.495 -1.908 1.00 74.30 H new ATOM 0 HH21 ARG A 79 0.971 -21.471 0.050 1.00 4.21 H new ATOM 0 HH22 ARG A 79 2.155 -21.453 -1.261 1.00 4.21 H new ATOM 1270 N PRO A 80 -0.936 -16.288 6.021 1.00 43.23 N ATOM 1271 CA PRO A 80 -1.456 -15.062 5.339 1.00 42.41 C ATOM 1272 C PRO A 80 -0.396 -13.938 5.207 1.00 1.20 C ATOM 1273 O PRO A 80 -0.062 -13.272 6.189 1.00 60.12 O ATOM 1274 CB PRO A 80 -2.654 -14.622 6.249 1.00 25.44 C ATOM 1275 CG PRO A 80 -2.890 -15.773 7.184 1.00 31.03 C ATOM 1276 CD PRO A 80 -1.540 -16.414 7.376 1.00 61.22 C ATOM 0 HA PRO A 80 -1.745 -15.264 4.308 1.00 42.41 H new ATOM 0 HB2 PRO A 80 -2.415 -13.712 6.799 1.00 25.44 H new ATOM 0 HB3 PRO A 80 -3.542 -14.411 5.654 1.00 25.44 H new ATOM 0 HG2 PRO A 80 -3.301 -15.430 8.134 1.00 31.03 H new ATOM 0 HG3 PRO A 80 -3.605 -16.480 6.764 1.00 31.03 H new ATOM 0 HD2 PRO A 80 -0.949 -15.900 8.134 1.00 61.22 H new ATOM 0 HD3 PRO A 80 -1.624 -17.455 7.689 1.00 61.22 H new ATOM 1284 N TRP A 81 0.124 -13.770 3.980 1.00 52.43 N ATOM 1285 CA TRP A 81 1.203 -12.820 3.663 1.00 44.02 C ATOM 1286 C TRP A 81 0.727 -11.371 3.888 1.00 22.11 C ATOM 1287 O TRP A 81 -0.310 -10.983 3.356 1.00 52.22 O ATOM 1288 CB TRP A 81 1.639 -13.036 2.181 1.00 3.02 C ATOM 1289 CG TRP A 81 2.753 -12.125 1.700 1.00 42.32 C ATOM 1290 CD1 TRP A 81 4.097 -12.358 1.752 1.00 23.35 C ATOM 1291 CD2 TRP A 81 2.600 -10.848 1.072 1.00 34.03 C ATOM 1292 NE1 TRP A 81 4.784 -11.281 1.245 1.00 31.43 N ATOM 1293 CE2 TRP A 81 3.886 -10.349 0.808 1.00 12.30 C ATOM 1294 CE3 TRP A 81 1.494 -10.081 0.708 1.00 63.33 C ATOM 1295 CZ2 TRP A 81 4.095 -9.110 0.219 1.00 14.31 C ATOM 1296 CZ3 TRP A 81 1.701 -8.863 0.119 1.00 43.24 C ATOM 1297 CH2 TRP A 81 2.991 -8.388 -0.130 1.00 35.35 C ATOM 0 H TRP A 81 -0.198 -14.298 3.169 1.00 52.43 H new ATOM 0 HA TRP A 81 2.054 -12.994 4.321 1.00 44.02 H new ATOM 0 HB2 TRP A 81 1.959 -14.071 2.059 1.00 3.02 H new ATOM 0 HB3 TRP A 81 0.770 -12.893 1.538 1.00 3.02 H new ATOM 0 HD1 TRP A 81 4.554 -13.258 2.136 1.00 23.35 H new ATOM 0 HE1 TRP A 81 5.799 -11.192 1.202 1.00 31.43 H new ATOM 0 HE3 TRP A 81 0.492 -10.442 0.888 1.00 63.33 H new ATOM 0 HZ2 TRP A 81 5.092 -8.732 0.044 1.00 14.31 H new ATOM 0 HZ3 TRP A 81 0.851 -8.258 -0.159 1.00 43.24 H new ATOM 0 HH2 TRP A 81 3.117 -7.428 -0.609 1.00 35.35 H new ATOM 1308 N LYS A 82 1.476 -10.584 4.685 1.00 34.15 N ATOM 1309 CA LYS A 82 1.186 -9.149 4.906 1.00 34.01 C ATOM 1310 C LYS A 82 2.341 -8.263 4.435 1.00 15.11 C ATOM 1311 O LYS A 82 3.503 -8.659 4.463 1.00 54.34 O ATOM 1312 CB LYS A 82 0.883 -8.863 6.407 1.00 21.43 C ATOM 1313 CG LYS A 82 -0.537 -9.255 6.859 1.00 52.02 C ATOM 1314 CD LYS A 82 -1.631 -8.413 6.157 1.00 22.21 C ATOM 1315 CE LYS A 82 -3.043 -8.693 6.690 1.00 14.31 C ATOM 1316 NZ LYS A 82 -3.192 -8.328 8.121 1.00 64.24 N ATOM 0 H LYS A 82 2.295 -10.920 5.192 1.00 34.15 H new ATOM 0 HA LYS A 82 0.303 -8.908 4.315 1.00 34.01 H new ATOM 0 HB2 LYS A 82 1.607 -9.401 7.019 1.00 21.43 H new ATOM 0 HB3 LYS A 82 1.031 -7.800 6.598 1.00 21.43 H new ATOM 0 HG2 LYS A 82 -0.704 -10.311 6.649 1.00 52.02 H new ATOM 0 HG3 LYS A 82 -0.620 -9.128 7.938 1.00 52.02 H new ATOM 0 HD2 LYS A 82 -1.404 -7.355 6.285 1.00 22.21 H new ATOM 0 HD3 LYS A 82 -1.606 -8.617 5.086 1.00 22.21 H new ATOM 0 HE2 LYS A 82 -3.769 -8.135 6.098 1.00 14.31 H new ATOM 0 HE3 LYS A 82 -3.273 -9.751 6.562 1.00 14.31 H new ATOM 0 HZ1 LYS A 82 -4.186 -8.440 8.406 1.00 64.24 H new ATOM 0 HZ2 LYS A 82 -2.593 -8.949 8.702 1.00 64.24 H new ATOM 0 HZ3 LYS A 82 -2.901 -7.339 8.259 1.00 64.24 H new ATOM 1330 N ALA A 83 1.981 -7.046 4.005 1.00 23.25 N ATOM 1331 CA ALA A 83 2.929 -5.957 3.722 1.00 35.15 C ATOM 1332 C ALA A 83 2.261 -4.628 4.078 1.00 23.52 C ATOM 1333 O ALA A 83 1.084 -4.418 3.764 1.00 25.04 O ATOM 1334 CB ALA A 83 3.384 -5.947 2.255 1.00 53.04 C ATOM 0 H ALA A 83 1.009 -6.785 3.841 1.00 23.25 H new ATOM 0 HA ALA A 83 3.823 -6.111 4.326 1.00 35.15 H new ATOM 0 HB1 ALA A 83 4.082 -5.125 2.096 1.00 53.04 H new ATOM 0 HB2 ALA A 83 3.875 -6.891 2.020 1.00 53.04 H new ATOM 0 HB3 ALA A 83 2.518 -5.817 1.606 1.00 53.04 H new ATOM 1340 N TYR A 84 3.011 -3.749 4.743 1.00 62.42 N ATOM 1341 CA TYR A 84 2.550 -2.411 5.125 1.00 40.40 C ATOM 1342 C TYR A 84 3.370 -1.369 4.357 1.00 34.02 C ATOM 1343 O TYR A 84 4.597 -1.344 4.452 1.00 5.30 O ATOM 1344 CB TYR A 84 2.662 -2.250 6.659 1.00 5.11 C ATOM 1345 CG TYR A 84 1.698 -3.186 7.413 1.00 50.30 C ATOM 1346 CD1 TYR A 84 0.324 -2.925 7.433 1.00 2.24 C ATOM 1347 CD2 TYR A 84 2.139 -4.341 8.060 1.00 53.04 C ATOM 1348 CE1 TYR A 84 -0.558 -3.760 8.088 1.00 44.45 C ATOM 1349 CE2 TYR A 84 1.252 -5.180 8.717 1.00 23.43 C ATOM 1350 CZ TYR A 84 -0.093 -4.889 8.718 1.00 52.25 C ATOM 1351 OH TYR A 84 -0.981 -5.732 9.355 1.00 64.04 O ATOM 0 H TYR A 84 3.968 -3.947 5.036 1.00 62.42 H new ATOM 0 HA TYR A 84 1.502 -2.265 4.863 1.00 40.40 H new ATOM 0 HB2 TYR A 84 3.686 -2.457 6.971 1.00 5.11 H new ATOM 0 HB3 TYR A 84 2.449 -1.216 6.931 1.00 5.11 H new ATOM 0 HD1 TYR A 84 -0.055 -2.051 6.925 1.00 2.24 H new ATOM 0 HD2 TYR A 84 3.191 -4.586 8.049 1.00 53.04 H new ATOM 0 HE1 TYR A 84 -1.612 -3.526 8.105 1.00 44.45 H new ATOM 0 HE2 TYR A 84 1.616 -6.060 9.227 1.00 23.43 H new ATOM 0 HH TYR A 84 -1.855 -5.681 8.914 1.00 64.04 H new ATOM 1361 N LEU A 85 2.678 -0.571 3.537 1.00 73.03 N ATOM 1362 CA LEU A 85 3.276 0.390 2.595 1.00 65.04 C ATOM 1363 C LEU A 85 2.769 1.803 2.902 1.00 23.00 C ATOM 1364 O LEU A 85 1.615 1.970 3.243 1.00 64.44 O ATOM 1365 CB LEU A 85 2.854 0.013 1.154 1.00 63.33 C ATOM 1366 CG LEU A 85 3.105 -1.454 0.701 1.00 71.20 C ATOM 1367 CD1 LEU A 85 2.617 -1.656 -0.746 1.00 52.23 C ATOM 1368 CD2 LEU A 85 4.588 -1.851 0.871 1.00 72.44 C ATOM 0 H LEU A 85 1.658 -0.573 3.507 1.00 73.03 H new ATOM 0 HA LEU A 85 4.361 0.362 2.693 1.00 65.04 H new ATOM 0 HB2 LEU A 85 1.789 0.222 1.048 1.00 63.33 H new ATOM 0 HB3 LEU A 85 3.379 0.674 0.464 1.00 63.33 H new ATOM 0 HG LEU A 85 2.528 -2.118 1.345 1.00 71.20 H new ATOM 0 HD11 LEU A 85 2.799 -2.687 -1.051 1.00 52.23 H new ATOM 0 HD12 LEU A 85 1.549 -1.443 -0.803 1.00 52.23 H new ATOM 0 HD13 LEU A 85 3.157 -0.981 -1.410 1.00 52.23 H new ATOM 0 HD21 LEU A 85 4.728 -2.882 0.545 1.00 72.44 H new ATOM 0 HD22 LEU A 85 5.213 -1.192 0.268 1.00 72.44 H new ATOM 0 HD23 LEU A 85 4.871 -1.760 1.920 1.00 72.44 H new ATOM 1380 N SER A 86 3.605 2.817 2.723 1.00 45.44 N ATOM 1381 CA SER A 86 3.244 4.207 3.039 1.00 4.00 C ATOM 1382 C SER A 86 3.744 5.155 1.947 1.00 43.22 C ATOM 1383 O SER A 86 4.658 4.816 1.194 1.00 13.25 O ATOM 1384 CB SER A 86 3.832 4.604 4.407 1.00 74.22 C ATOM 1385 OG SER A 86 5.248 4.523 4.408 1.00 50.30 O ATOM 0 H SER A 86 4.551 2.708 2.357 1.00 45.44 H new ATOM 0 HA SER A 86 2.158 4.285 3.086 1.00 4.00 H new ATOM 0 HB2 SER A 86 3.525 5.620 4.655 1.00 74.22 H new ATOM 0 HB3 SER A 86 3.429 3.951 5.181 1.00 74.22 H new ATOM 0 HG SER A 86 5.523 3.604 4.209 1.00 50.30 H new ATOM 1391 N ALA A 87 3.116 6.329 1.856 1.00 15.44 N ATOM 1392 CA ALA A 87 3.574 7.416 0.983 1.00 33.23 C ATOM 1393 C ALA A 87 3.154 8.768 1.565 1.00 52.45 C ATOM 1394 O ALA A 87 2.401 8.826 2.538 1.00 41.30 O ATOM 1395 CB ALA A 87 3.018 7.234 -0.442 1.00 11.32 C ATOM 0 H ALA A 87 2.274 6.555 2.386 1.00 15.44 H new ATOM 0 HA ALA A 87 4.662 7.388 0.926 1.00 33.23 H new ATOM 0 HB1 ALA A 87 3.368 8.049 -1.076 1.00 11.32 H new ATOM 0 HB2 ALA A 87 3.364 6.284 -0.849 1.00 11.32 H new ATOM 0 HB3 ALA A 87 1.928 7.240 -0.411 1.00 11.32 H new ATOM 1401 N GLN A 88 3.691 9.837 0.985 1.00 64.24 N ATOM 1402 CA GLN A 88 3.226 11.203 1.225 1.00 34.44 C ATOM 1403 C GLN A 88 3.483 11.990 -0.056 1.00 20.24 C ATOM 1404 O GLN A 88 4.631 12.068 -0.514 1.00 52.14 O ATOM 1405 CB GLN A 88 3.938 11.852 2.445 1.00 55.32 C ATOM 1406 CG GLN A 88 3.475 13.287 2.782 1.00 31.31 C ATOM 1407 CD GLN A 88 4.284 13.945 3.904 1.00 24.32 C ATOM 1408 OE1 GLN A 88 4.781 13.275 4.816 1.00 3.40 O ATOM 1409 NE2 GLN A 88 4.426 15.263 3.847 1.00 41.31 N ATOM 0 H GLN A 88 4.469 9.781 0.328 1.00 64.24 H new ATOM 0 HA GLN A 88 2.164 11.203 1.471 1.00 34.44 H new ATOM 0 HB2 GLN A 88 3.778 11.220 3.319 1.00 55.32 H new ATOM 0 HB3 GLN A 88 5.011 11.868 2.255 1.00 55.32 H new ATOM 0 HG2 GLN A 88 3.546 13.903 1.885 1.00 31.31 H new ATOM 0 HG3 GLN A 88 2.424 13.263 3.070 1.00 31.31 H new ATOM 0 HE21 GLN A 88 4.004 15.789 3.082 1.00 41.31 H new ATOM 0 HE22 GLN A 88 4.957 15.750 4.569 1.00 41.31 H new ATOM 1418 N ASP A 89 2.415 12.521 -0.651 1.00 63.13 N ATOM 1419 CA ASP A 89 2.487 13.232 -1.934 1.00 52.35 C ATOM 1420 C ASP A 89 2.709 14.746 -1.685 1.00 34.50 C ATOM 1421 O ASP A 89 2.897 15.173 -0.542 1.00 63.12 O ATOM 1422 CB ASP A 89 1.195 12.953 -2.759 1.00 71.41 C ATOM 1423 CG ASP A 89 0.015 13.850 -2.374 1.00 3.14 C ATOM 1424 OD1 ASP A 89 -0.447 13.772 -1.219 1.00 55.50 O ATOM 1425 OD2 ASP A 89 -0.409 14.676 -3.217 1.00 41.41 O ATOM 0 H ASP A 89 1.474 12.472 -0.260 1.00 63.13 H new ATOM 0 HA ASP A 89 3.335 12.871 -2.516 1.00 52.35 H new ATOM 0 HB2 ASP A 89 1.414 13.090 -3.818 1.00 71.41 H new ATOM 0 HB3 ASP A 89 0.907 11.910 -2.625 1.00 71.41 H new ATOM 1430 N ASP A 90 2.684 15.540 -2.774 1.00 24.45 N ATOM 1431 CA ASP A 90 2.961 16.991 -2.746 1.00 20.42 C ATOM 1432 C ASP A 90 1.883 17.782 -1.961 1.00 43.05 C ATOM 1433 O ASP A 90 2.193 18.822 -1.349 1.00 31.14 O ATOM 1434 CB ASP A 90 3.086 17.509 -4.203 1.00 4.41 C ATOM 1435 CG ASP A 90 3.347 19.028 -4.291 1.00 24.23 C ATOM 1436 OD1 ASP A 90 4.510 19.447 -4.121 1.00 73.15 O ATOM 1437 OD2 ASP A 90 2.390 19.805 -4.519 1.00 62.21 O ATOM 0 H ASP A 90 2.469 15.189 -3.707 1.00 24.45 H new ATOM 0 HA ASP A 90 3.900 17.153 -2.217 1.00 20.42 H new ATOM 0 HB2 ASP A 90 3.897 16.979 -4.701 1.00 4.41 H new ATOM 0 HB3 ASP A 90 2.170 17.273 -4.745 1.00 4.41 H new ATOM 1442 N THR A 91 0.627 17.272 -1.938 1.00 51.44 N ATOM 1443 CA THR A 91 -0.467 17.916 -1.175 1.00 61.31 C ATOM 1444 C THR A 91 -0.298 17.645 0.338 1.00 10.04 C ATOM 1445 O THR A 91 -0.949 18.290 1.173 1.00 2.41 O ATOM 1446 CB THR A 91 -1.905 17.470 -1.635 1.00 74.33 C ATOM 1447 OG1 THR A 91 -2.183 16.120 -1.235 1.00 41.03 O ATOM 1448 CG2 THR A 91 -2.102 17.605 -3.155 1.00 62.13 C ATOM 0 H THR A 91 0.350 16.425 -2.434 1.00 51.44 H new ATOM 0 HA THR A 91 -0.389 18.984 -1.379 1.00 61.31 H new ATOM 0 HB THR A 91 -2.605 18.144 -1.142 1.00 74.33 H new ATOM 0 HG1 THR A 91 -1.347 15.610 -1.202 1.00 41.03 H new ATOM 0 HG21 THR A 91 -3.109 17.285 -3.421 1.00 62.13 H new ATOM 0 HG22 THR A 91 -1.962 18.645 -3.449 1.00 62.13 H new ATOM 0 HG23 THR A 91 -1.374 16.981 -3.673 1.00 62.13 H new ATOM 1456 N GLY A 92 0.599 16.694 0.678 1.00 53.54 N ATOM 1457 CA GLY A 92 0.955 16.388 2.062 1.00 12.10 C ATOM 1458 C GLY A 92 0.173 15.232 2.652 1.00 52.15 C ATOM 1459 O GLY A 92 0.366 14.909 3.833 1.00 44.22 O ATOM 0 H GLY A 92 1.092 16.122 -0.008 1.00 53.54 H new ATOM 0 HA2 GLY A 92 2.019 16.158 2.111 1.00 12.10 H new ATOM 0 HA3 GLY A 92 0.792 17.275 2.674 1.00 12.10 H new ATOM 1463 N CYS A 93 -0.706 14.596 1.845 1.00 64.44 N ATOM 1464 CA CYS A 93 -1.532 13.471 2.304 1.00 51.40 C ATOM 1465 C CYS A 93 -0.659 12.240 2.597 1.00 71.44 C ATOM 1466 O CYS A 93 0.107 11.804 1.740 1.00 42.20 O ATOM 1467 CB CYS A 93 -2.639 13.130 1.276 1.00 30.13 C ATOM 1468 SG CYS A 93 -3.803 14.473 1.002 1.00 53.21 S ATOM 0 H CYS A 93 -0.857 14.849 0.869 1.00 64.44 H new ATOM 0 HA CYS A 93 -2.022 13.772 3.230 1.00 51.40 H new ATOM 0 HB2 CYS A 93 -2.173 12.865 0.327 1.00 30.13 H new ATOM 0 HB3 CYS A 93 -3.185 12.251 1.620 1.00 30.13 H new ATOM 0 HG CYS A 93 -3.317 15.295 0.120 1.00 53.21 H new ATOM 1474 N LEU A 94 -0.791 11.707 3.824 1.00 61.03 N ATOM 1475 CA LEU A 94 -0.061 10.513 4.275 1.00 11.55 C ATOM 1476 C LEU A 94 -0.930 9.288 3.921 1.00 52.00 C ATOM 1477 O LEU A 94 -2.056 9.182 4.400 1.00 33.12 O ATOM 1478 CB LEU A 94 0.222 10.585 5.821 1.00 71.43 C ATOM 1479 CG LEU A 94 1.439 9.750 6.381 1.00 43.10 C ATOM 1480 CD1 LEU A 94 1.241 8.230 6.221 1.00 73.14 C ATOM 1481 CD2 LEU A 94 2.765 10.211 5.733 1.00 12.32 C ATOM 0 H LEU A 94 -1.411 12.096 4.534 1.00 61.03 H new ATOM 0 HA LEU A 94 0.909 10.442 3.783 1.00 11.55 H new ATOM 0 HB2 LEU A 94 0.382 11.630 6.085 1.00 71.43 H new ATOM 0 HB3 LEU A 94 -0.678 10.259 6.343 1.00 71.43 H new ATOM 0 HG LEU A 94 1.490 9.944 7.452 1.00 43.10 H new ATOM 0 HD11 LEU A 94 2.108 7.706 6.623 1.00 73.14 H new ATOM 0 HD12 LEU A 94 0.347 7.921 6.762 1.00 73.14 H new ATOM 0 HD13 LEU A 94 1.128 7.987 5.164 1.00 73.14 H new ATOM 0 HD21 LEU A 94 3.590 9.622 6.134 1.00 12.32 H new ATOM 0 HD22 LEU A 94 2.710 10.071 4.653 1.00 12.32 H new ATOM 0 HD23 LEU A 94 2.931 11.265 5.954 1.00 12.32 H new ATOM 1493 N PHE A 95 -0.386 8.374 3.110 1.00 63.25 N ATOM 1494 CA PHE A 95 -1.086 7.172 2.628 1.00 22.14 C ATOM 1495 C PHE A 95 -0.585 5.950 3.402 1.00 40.13 C ATOM 1496 O PHE A 95 0.617 5.815 3.625 1.00 60.01 O ATOM 1497 CB PHE A 95 -0.826 6.982 1.114 1.00 74.01 C ATOM 1498 CG PHE A 95 -1.349 8.130 0.254 1.00 71.32 C ATOM 1499 CD1 PHE A 95 -2.690 8.168 -0.133 1.00 3.14 C ATOM 1500 CD2 PHE A 95 -0.509 9.165 -0.171 1.00 13.03 C ATOM 1501 CE1 PHE A 95 -3.176 9.204 -0.901 1.00 51.43 C ATOM 1502 CE2 PHE A 95 -1.001 10.198 -0.942 1.00 15.13 C ATOM 1503 CZ PHE A 95 -2.332 10.212 -1.308 1.00 23.00 C ATOM 0 H PHE A 95 0.570 8.448 2.762 1.00 63.25 H new ATOM 0 HA PHE A 95 -2.158 7.287 2.788 1.00 22.14 H new ATOM 0 HB2 PHE A 95 0.246 6.875 0.949 1.00 74.01 H new ATOM 0 HB3 PHE A 95 -1.293 6.053 0.788 1.00 74.01 H new ATOM 0 HD1 PHE A 95 -3.356 7.375 0.174 1.00 3.14 H new ATOM 0 HD2 PHE A 95 0.535 9.155 0.107 1.00 13.03 H new ATOM 0 HE1 PHE A 95 -4.218 9.225 -1.183 1.00 51.43 H new ATOM 0 HE2 PHE A 95 -0.345 10.995 -1.259 1.00 15.13 H new ATOM 0 HZ PHE A 95 -2.713 11.018 -1.917 1.00 23.00 H new ATOM 1513 N LEU A 96 -1.514 5.103 3.853 1.00 51.41 N ATOM 1514 CA LEU A 96 -1.209 3.816 4.495 1.00 42.05 C ATOM 1515 C LEU A 96 -1.913 2.702 3.701 1.00 63.52 C ATOM 1516 O LEU A 96 -3.103 2.805 3.409 1.00 53.40 O ATOM 1517 CB LEU A 96 -1.710 3.825 5.965 1.00 31.54 C ATOM 1518 CG LEU A 96 -1.207 4.990 6.868 1.00 11.42 C ATOM 1519 CD1 LEU A 96 -1.973 5.029 8.194 1.00 1.13 C ATOM 1520 CD2 LEU A 96 0.310 4.915 7.113 1.00 44.11 C ATOM 0 H LEU A 96 -2.514 5.292 3.783 1.00 51.41 H new ATOM 0 HA LEU A 96 -0.133 3.645 4.502 1.00 42.05 H new ATOM 0 HB2 LEU A 96 -2.800 3.850 5.953 1.00 31.54 H new ATOM 0 HB3 LEU A 96 -1.418 2.883 6.430 1.00 31.54 H new ATOM 0 HG LEU A 96 -1.403 5.919 6.332 1.00 11.42 H new ATOM 0 HD11 LEU A 96 -1.601 5.852 8.805 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -3.035 5.174 7.997 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.828 4.088 8.726 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.618 5.746 7.747 1.00 44.11 H new ATOM 0 HD22 LEU A 96 0.553 3.973 7.606 1.00 44.11 H new ATOM 0 HD23 LEU A 96 0.836 4.972 6.160 1.00 44.11 H new ATOM 1532 N THR A 97 -1.165 1.664 3.327 1.00 3.31 N ATOM 1533 CA THR A 97 -1.672 0.526 2.547 1.00 2.12 C ATOM 1534 C THR A 97 -1.279 -0.806 3.214 1.00 53.33 C ATOM 1535 O THR A 97 -0.202 -0.927 3.785 1.00 61.44 O ATOM 1536 CB THR A 97 -1.133 0.581 1.073 1.00 72.22 C ATOM 1537 OG1 THR A 97 -1.372 1.882 0.525 1.00 5.40 O ATOM 1538 CG2 THR A 97 -1.788 -0.475 0.154 1.00 74.15 C ATOM 0 H THR A 97 -0.175 1.585 3.559 1.00 3.31 H new ATOM 0 HA THR A 97 -2.760 0.590 2.518 1.00 2.12 H new ATOM 0 HB THR A 97 -0.066 0.363 1.117 1.00 72.22 H new ATOM 0 HG1 THR A 97 -0.683 2.088 -0.141 1.00 5.40 H new ATOM 0 HG21 THR A 97 -1.376 -0.388 -0.851 1.00 74.15 H new ATOM 0 HG22 THR A 97 -1.586 -1.472 0.544 1.00 74.15 H new ATOM 0 HG23 THR A 97 -2.865 -0.310 0.120 1.00 74.15 H new ATOM 1546 N GLU A 98 -2.183 -1.783 3.140 1.00 1.43 N ATOM 1547 CA GLU A 98 -1.954 -3.148 3.611 1.00 43.32 C ATOM 1548 C GLU A 98 -2.240 -4.104 2.448 1.00 21.32 C ATOM 1549 O GLU A 98 -3.247 -3.954 1.753 1.00 35.15 O ATOM 1550 CB GLU A 98 -2.872 -3.452 4.809 1.00 35.13 C ATOM 1551 CG GLU A 98 -2.756 -4.866 5.389 1.00 64.14 C ATOM 1552 CD GLU A 98 -3.810 -5.128 6.481 1.00 34.23 C ATOM 1553 OE1 GLU A 98 -5.009 -5.158 6.147 1.00 33.44 O ATOM 1554 OE2 GLU A 98 -3.454 -5.291 7.666 1.00 41.44 O ATOM 0 H GLU A 98 -3.112 -1.645 2.743 1.00 1.43 H new ATOM 0 HA GLU A 98 -0.923 -3.271 3.943 1.00 43.32 H new ATOM 0 HB2 GLU A 98 -2.656 -2.735 5.601 1.00 35.13 H new ATOM 0 HB3 GLU A 98 -3.905 -3.287 4.503 1.00 35.13 H new ATOM 0 HG2 GLU A 98 -2.873 -5.597 4.589 1.00 64.14 H new ATOM 0 HG3 GLU A 98 -1.759 -5.006 5.806 1.00 64.14 H new ATOM 1561 N LEU A 99 -1.335 -5.058 2.222 1.00 51.32 N ATOM 1562 CA LEU A 99 -1.478 -6.086 1.185 1.00 30.55 C ATOM 1563 C LEU A 99 -1.553 -7.445 1.885 1.00 24.11 C ATOM 1564 O LEU A 99 -0.691 -7.754 2.710 1.00 42.42 O ATOM 1565 CB LEU A 99 -0.282 -6.032 0.196 1.00 45.31 C ATOM 1566 CG LEU A 99 -0.031 -4.684 -0.551 1.00 55.21 C ATOM 1567 CD1 LEU A 99 1.157 -4.818 -1.522 1.00 55.11 C ATOM 1568 CD2 LEU A 99 -1.292 -4.189 -1.289 1.00 25.15 C ATOM 0 H LEU A 99 -0.472 -5.141 2.759 1.00 51.32 H new ATOM 0 HA LEU A 99 -2.383 -5.917 0.602 1.00 30.55 H new ATOM 0 HB2 LEU A 99 0.623 -6.286 0.747 1.00 45.31 H new ATOM 0 HB3 LEU A 99 -0.428 -6.811 -0.553 1.00 45.31 H new ATOM 0 HG LEU A 99 0.216 -3.934 0.200 1.00 55.21 H new ATOM 0 HD11 LEU A 99 1.317 -3.869 -2.034 1.00 55.11 H new ATOM 0 HD12 LEU A 99 2.054 -5.086 -0.964 1.00 55.11 H new ATOM 0 HD13 LEU A 99 0.941 -5.594 -2.256 1.00 55.11 H new ATOM 0 HD21 LEU A 99 -1.072 -3.249 -1.795 1.00 25.15 H new ATOM 0 HD22 LEU A 99 -1.599 -4.933 -2.024 1.00 25.15 H new ATOM 0 HD23 LEU A 99 -2.097 -4.035 -0.571 1.00 25.15 H new ATOM 1580 N LEU A 100 -2.600 -8.224 1.579 1.00 13.41 N ATOM 1581 CA LEU A 100 -2.848 -9.540 2.195 1.00 14.20 C ATOM 1582 C LEU A 100 -3.009 -10.609 1.108 1.00 63.41 C ATOM 1583 O LEU A 100 -4.013 -10.612 0.408 1.00 62.43 O ATOM 1584 CB LEU A 100 -4.128 -9.482 3.086 1.00 64.11 C ATOM 1585 CG LEU A 100 -4.675 -10.853 3.633 1.00 75.21 C ATOM 1586 CD1 LEU A 100 -3.607 -11.617 4.438 1.00 72.14 C ATOM 1587 CD2 LEU A 100 -5.963 -10.648 4.461 1.00 22.43 C ATOM 0 H LEU A 100 -3.306 -7.959 0.892 1.00 13.41 H new ATOM 0 HA LEU A 100 -1.995 -9.802 2.821 1.00 14.20 H new ATOM 0 HB2 LEU A 100 -3.920 -8.835 3.938 1.00 64.11 H new ATOM 0 HB3 LEU A 100 -4.921 -9.005 2.510 1.00 64.11 H new ATOM 0 HG LEU A 100 -4.926 -11.469 2.770 1.00 75.21 H new ATOM 0 HD11 LEU A 100 -4.026 -12.557 4.797 1.00 72.14 H new ATOM 0 HD12 LEU A 100 -2.748 -11.823 3.799 1.00 72.14 H new ATOM 0 HD13 LEU A 100 -3.290 -11.012 5.288 1.00 72.14 H new ATOM 0 HD21 LEU A 100 -6.318 -11.612 4.826 1.00 22.43 H new ATOM 0 HD22 LEU A 100 -5.751 -9.995 5.308 1.00 22.43 H new ATOM 0 HD23 LEU A 100 -6.730 -10.192 3.834 1.00 22.43 H new ATOM 1599 N LEU A 101 -2.043 -11.538 0.997 1.00 14.12 N ATOM 1600 CA LEU A 101 -2.189 -12.704 0.109 1.00 42.14 C ATOM 1601 C LEU A 101 -2.691 -13.849 1.000 1.00 21.44 C ATOM 1602 O LEU A 101 -1.995 -14.272 1.933 1.00 21.00 O ATOM 1603 CB LEU A 101 -0.864 -13.081 -0.597 1.00 63.42 C ATOM 1604 CG LEU A 101 -0.964 -14.240 -1.652 1.00 12.43 C ATOM 1605 CD1 LEU A 101 -1.727 -13.794 -2.921 1.00 65.23 C ATOM 1606 CD2 LEU A 101 0.426 -14.799 -2.001 1.00 43.35 C ATOM 0 H LEU A 101 -1.160 -11.505 1.507 1.00 14.12 H new ATOM 0 HA LEU A 101 -2.887 -12.484 -0.699 1.00 42.14 H new ATOM 0 HB2 LEU A 101 -0.473 -12.194 -1.095 1.00 63.42 H new ATOM 0 HB3 LEU A 101 -0.137 -13.367 0.163 1.00 63.42 H new ATOM 0 HG LEU A 101 -1.540 -15.045 -1.196 1.00 12.43 H new ATOM 0 HD11 LEU A 101 -1.775 -14.623 -3.627 1.00 65.23 H new ATOM 0 HD12 LEU A 101 -2.738 -13.489 -2.650 1.00 65.23 H new ATOM 0 HD13 LEU A 101 -1.207 -12.955 -3.382 1.00 65.23 H new ATOM 0 HD21 LEU A 101 0.323 -15.600 -2.733 1.00 43.35 H new ATOM 0 HD22 LEU A 101 1.044 -14.004 -2.417 1.00 43.35 H new ATOM 0 HD23 LEU A 101 0.898 -15.191 -1.100 1.00 43.35 H new ATOM 1618 N GLU A 102 -3.910 -14.310 0.720 1.00 62.44 N ATOM 1619 CA GLU A 102 -4.682 -15.183 1.627 1.00 31.32 C ATOM 1620 C GLU A 102 -4.135 -16.641 1.672 1.00 44.22 C ATOM 1621 O GLU A 102 -3.605 -17.127 0.667 1.00 54.13 O ATOM 1622 CB GLU A 102 -6.158 -15.143 1.188 1.00 63.40 C ATOM 1623 CG GLU A 102 -6.772 -13.733 1.248 1.00 73.52 C ATOM 1624 CD GLU A 102 -8.238 -13.690 0.803 1.00 2.10 C ATOM 1625 OE1 GLU A 102 -9.110 -14.178 1.555 1.00 2.03 O ATOM 1626 OE2 GLU A 102 -8.536 -13.164 -0.292 1.00 0.43 O ATOM 0 H GLU A 102 -4.400 -14.091 -0.147 1.00 62.44 H new ATOM 0 HA GLU A 102 -4.583 -14.810 2.646 1.00 31.32 H new ATOM 0 HB2 GLU A 102 -6.238 -15.524 0.170 1.00 63.40 H new ATOM 0 HB3 GLU A 102 -6.738 -15.812 1.824 1.00 63.40 H new ATOM 0 HG2 GLU A 102 -6.698 -13.355 2.268 1.00 73.52 H new ATOM 0 HG3 GLU A 102 -6.188 -13.063 0.617 1.00 73.52 H new ATOM 1633 N PRO A 103 -4.282 -17.361 2.852 1.00 50.02 N ATOM 1634 CA PRO A 103 -3.690 -18.713 3.077 1.00 62.42 C ATOM 1635 C PRO A 103 -4.183 -19.785 2.081 1.00 25.24 C ATOM 1636 O PRO A 103 -3.381 -20.578 1.564 1.00 14.33 O ATOM 1637 CB PRO A 103 -4.076 -19.045 4.549 1.00 64.31 C ATOM 1638 CG PRO A 103 -5.255 -18.173 4.849 1.00 11.11 C ATOM 1639 CD PRO A 103 -5.034 -16.904 4.054 1.00 42.24 C ATOM 0 HA PRO A 103 -2.613 -18.711 2.910 1.00 62.42 H new ATOM 0 HB2 PRO A 103 -4.327 -20.100 4.663 1.00 64.31 H new ATOM 0 HB3 PRO A 103 -3.250 -18.839 5.229 1.00 64.31 H new ATOM 0 HG2 PRO A 103 -6.186 -18.660 4.560 1.00 11.11 H new ATOM 0 HG3 PRO A 103 -5.324 -17.960 5.916 1.00 11.11 H new ATOM 0 HD2 PRO A 103 -5.979 -16.435 3.780 1.00 42.24 H new ATOM 0 HD3 PRO A 103 -4.467 -16.169 4.625 1.00 42.24 H new ATOM 1647 N GLY A 104 -5.492 -19.785 1.794 1.00 71.23 N ATOM 1648 CA GLY A 104 -6.102 -20.764 0.888 1.00 1.04 C ATOM 1649 C GLY A 104 -6.843 -20.106 -0.265 1.00 11.54 C ATOM 1650 O GLY A 104 -7.874 -20.617 -0.721 1.00 35.24 O ATOM 0 H GLY A 104 -6.153 -19.111 2.181 1.00 71.23 H new ATOM 0 HA2 GLY A 104 -5.327 -21.419 0.491 1.00 1.04 H new ATOM 0 HA3 GLY A 104 -6.794 -21.392 1.449 1.00 1.04 H new ATOM 1654 N ASN A 105 -6.305 -18.970 -0.752 1.00 42.44 N ATOM 1655 CA ASN A 105 -6.896 -18.228 -1.884 1.00 23.01 C ATOM 1656 C ASN A 105 -5.794 -17.479 -2.657 1.00 41.24 C ATOM 1657 O ASN A 105 -4.957 -16.799 -2.051 1.00 25.01 O ATOM 1658 CB ASN A 105 -7.979 -17.234 -1.382 1.00 64.14 C ATOM 1659 CG ASN A 105 -8.710 -16.499 -2.517 1.00 35.12 C ATOM 1660 OD1 ASN A 105 -8.882 -17.029 -3.616 1.00 43.33 O ATOM 1661 ND2 ASN A 105 -9.155 -15.282 -2.260 1.00 13.13 N ATOM 0 H ASN A 105 -5.457 -18.544 -0.377 1.00 42.44 H new ATOM 0 HA ASN A 105 -7.374 -18.941 -2.556 1.00 23.01 H new ATOM 0 HB2 ASN A 105 -8.709 -17.777 -0.782 1.00 64.14 H new ATOM 0 HB3 ASN A 105 -7.511 -16.500 -0.727 1.00 64.14 H new ATOM 0 HD21 ASN A 105 -9.654 -14.759 -2.980 1.00 13.13 H new ATOM 0 HD22 ASN A 105 -9.000 -14.865 -1.342 1.00 13.13 H new ATOM 1668 N SER A 106 -5.828 -17.594 -4.004 1.00 72.00 N ATOM 1669 CA SER A 106 -4.842 -16.974 -4.916 1.00 12.41 C ATOM 1670 C SER A 106 -5.237 -15.519 -5.256 1.00 4.33 C ATOM 1671 O SER A 106 -5.335 -15.135 -6.431 1.00 12.00 O ATOM 1672 CB SER A 106 -4.727 -17.840 -6.198 1.00 53.00 C ATOM 1673 OG SER A 106 -4.334 -19.159 -5.886 1.00 65.42 O ATOM 0 H SER A 106 -6.549 -18.126 -4.493 1.00 72.00 H new ATOM 0 HA SER A 106 -3.870 -16.933 -4.424 1.00 12.41 H new ATOM 0 HB2 SER A 106 -5.685 -17.856 -6.717 1.00 53.00 H new ATOM 0 HB3 SER A 106 -4.003 -17.393 -6.879 1.00 53.00 H new ATOM 0 HG SER A 106 -4.270 -19.685 -6.710 1.00 65.42 H new ATOM 1679 N GLU A 107 -5.434 -14.706 -4.211 1.00 3.12 N ATOM 1680 CA GLU A 107 -5.890 -13.309 -4.334 1.00 3.24 C ATOM 1681 C GLU A 107 -5.258 -12.460 -3.215 1.00 22.11 C ATOM 1682 O GLU A 107 -4.945 -12.967 -2.125 1.00 72.11 O ATOM 1683 CB GLU A 107 -7.449 -13.203 -4.297 1.00 43.24 C ATOM 1684 CG GLU A 107 -8.166 -13.724 -5.559 1.00 5.23 C ATOM 1685 CD GLU A 107 -9.700 -13.617 -5.493 1.00 23.53 C ATOM 1686 OE1 GLU A 107 -10.352 -14.563 -4.986 1.00 12.21 O ATOM 1687 OE2 GLU A 107 -10.269 -12.604 -5.955 1.00 14.31 O ATOM 0 H GLU A 107 -5.281 -14.999 -3.246 1.00 3.12 H new ATOM 0 HA GLU A 107 -5.567 -12.928 -5.303 1.00 3.24 H new ATOM 0 HB2 GLU A 107 -7.816 -13.758 -3.433 1.00 43.24 H new ATOM 0 HB3 GLU A 107 -7.724 -12.159 -4.146 1.00 43.24 H new ATOM 0 HG2 GLU A 107 -7.809 -13.165 -6.424 1.00 5.23 H new ATOM 0 HG3 GLU A 107 -7.891 -14.767 -5.717 1.00 5.23 H new ATOM 1694 N MET A 108 -5.088 -11.164 -3.508 1.00 33.23 N ATOM 1695 CA MET A 108 -4.493 -10.179 -2.598 1.00 42.32 C ATOM 1696 C MET A 108 -5.552 -9.121 -2.269 1.00 24.41 C ATOM 1697 O MET A 108 -6.244 -8.655 -3.162 1.00 21.33 O ATOM 1698 CB MET A 108 -3.257 -9.479 -3.236 1.00 13.02 C ATOM 1699 CG MET A 108 -2.630 -8.376 -2.348 1.00 24.02 C ATOM 1700 SD MET A 108 -1.403 -7.365 -3.204 1.00 70.13 S ATOM 1701 CE MET A 108 -0.082 -8.534 -3.477 1.00 40.40 C ATOM 0 H MET A 108 -5.367 -10.764 -4.404 1.00 33.23 H new ATOM 0 HA MET A 108 -4.159 -10.696 -1.698 1.00 42.32 H new ATOM 0 HB2 MET A 108 -2.498 -10.231 -3.453 1.00 13.02 H new ATOM 0 HB3 MET A 108 -3.553 -9.040 -4.189 1.00 13.02 H new ATOM 0 HG2 MET A 108 -3.423 -7.729 -1.973 1.00 24.02 H new ATOM 0 HG3 MET A 108 -2.162 -8.842 -1.481 1.00 24.02 H new ATOM 0 HE1 MET A 108 0.753 -8.032 -3.965 1.00 40.40 H new ATOM 0 HE2 MET A 108 0.248 -8.940 -2.521 1.00 40.40 H new ATOM 0 HE3 MET A 108 -0.439 -9.345 -4.112 1.00 40.40 H new ATOM 1711 N GLN A 109 -5.653 -8.729 -0.996 1.00 71.32 N ATOM 1712 CA GLN A 109 -6.544 -7.654 -0.545 1.00 44.21 C ATOM 1713 C GLN A 109 -5.693 -6.395 -0.356 1.00 63.42 C ATOM 1714 O GLN A 109 -4.677 -6.428 0.345 1.00 3.24 O ATOM 1715 CB GLN A 109 -7.263 -8.064 0.767 1.00 12.41 C ATOM 1716 CG GLN A 109 -8.235 -9.251 0.590 1.00 30.52 C ATOM 1717 CD GLN A 109 -8.985 -9.652 1.867 1.00 53.32 C ATOM 1718 OE1 GLN A 109 -9.397 -10.909 1.953 1.00 25.14 O flip ATOM 1719 NE2 GLN A 109 -9.229 -8.830 2.753 1.00 4.03 N flip ATOM 0 H GLN A 109 -5.113 -9.153 -0.241 1.00 71.32 H new ATOM 0 HA GLN A 109 -7.323 -7.459 -1.282 1.00 44.21 H new ATOM 0 HB2 GLN A 109 -6.515 -8.325 1.516 1.00 12.41 H new ATOM 0 HB3 GLN A 109 -7.815 -7.207 1.153 1.00 12.41 H new ATOM 0 HG2 GLN A 109 -8.963 -8.997 -0.180 1.00 30.52 H new ATOM 0 HG3 GLN A 109 -7.675 -10.112 0.227 1.00 30.52 H new ATOM 0 HE21 GLN A 109 -8.900 -7.869 2.662 1.00 4.03 H new ATOM 0 HE22 GLN A 109 -9.760 -9.111 3.577 1.00 4.03 H new ATOM 1728 N ILE A 110 -6.083 -5.319 -1.045 1.00 20.02 N ATOM 1729 CA ILE A 110 -5.397 -4.021 -1.012 1.00 74.44 C ATOM 1730 C ILE A 110 -6.264 -3.064 -0.170 1.00 61.24 C ATOM 1731 O ILE A 110 -7.380 -2.747 -0.573 1.00 41.35 O ATOM 1732 CB ILE A 110 -5.199 -3.408 -2.467 1.00 35.35 C ATOM 1733 CG1 ILE A 110 -4.359 -4.343 -3.417 1.00 51.02 C ATOM 1734 CG2 ILE A 110 -4.555 -1.998 -2.381 1.00 0.34 C ATOM 1735 CD1 ILE A 110 -5.082 -5.580 -3.946 1.00 50.41 C ATOM 0 H ILE A 110 -6.901 -5.324 -1.654 1.00 20.02 H new ATOM 0 HA ILE A 110 -4.404 -4.155 -0.583 1.00 74.44 H new ATOM 0 HB ILE A 110 -6.192 -3.323 -2.909 1.00 35.35 H new ATOM 0 HG12 ILE A 110 -4.020 -3.753 -4.268 1.00 51.02 H new ATOM 0 HG13 ILE A 110 -3.468 -4.669 -2.879 1.00 51.02 H new ATOM 0 HG21 ILE A 110 -4.427 -1.594 -3.385 1.00 0.34 H new ATOM 0 HG22 ILE A 110 -5.202 -1.337 -1.804 1.00 0.34 H new ATOM 0 HG23 ILE A 110 -3.583 -2.071 -1.893 1.00 0.34 H new ATOM 0 HD11 ILE A 110 -4.409 -6.148 -4.588 1.00 50.41 H new ATOM 0 HD12 ILE A 110 -5.397 -6.203 -3.109 1.00 50.41 H new ATOM 0 HD13 ILE A 110 -5.957 -5.273 -4.519 1.00 50.41 H new ATOM 1747 N SER A 111 -5.749 -2.609 0.983 1.00 41.12 N ATOM 1748 CA SER A 111 -6.485 -1.739 1.911 1.00 62.22 C ATOM 1749 C SER A 111 -5.829 -0.348 1.909 1.00 1.21 C ATOM 1750 O SER A 111 -4.730 -0.183 2.438 1.00 73.24 O ATOM 1751 CB SER A 111 -6.459 -2.370 3.326 1.00 64.41 C ATOM 1752 OG SER A 111 -6.879 -3.725 3.297 1.00 24.44 O ATOM 0 H SER A 111 -4.806 -2.836 1.298 1.00 41.12 H new ATOM 0 HA SER A 111 -7.525 -1.635 1.602 1.00 62.22 H new ATOM 0 HB2 SER A 111 -5.450 -2.309 3.735 1.00 64.41 H new ATOM 0 HB3 SER A 111 -7.108 -1.801 3.992 1.00 64.41 H new ATOM 0 HG SER A 111 -7.855 -3.767 3.379 1.00 24.44 H new ATOM 1758 N VAL A 112 -6.503 0.636 1.292 1.00 0.31 N ATOM 1759 CA VAL A 112 -6.003 2.018 1.174 1.00 54.30 C ATOM 1760 C VAL A 112 -6.696 2.895 2.230 1.00 71.32 C ATOM 1761 O VAL A 112 -7.926 3.004 2.243 1.00 21.42 O ATOM 1762 CB VAL A 112 -6.291 2.620 -0.254 1.00 4.42 C ATOM 1763 CG1 VAL A 112 -5.693 4.042 -0.384 1.00 72.33 C ATOM 1764 CG2 VAL A 112 -5.782 1.691 -1.379 1.00 64.41 C ATOM 0 H VAL A 112 -7.415 0.496 0.858 1.00 0.31 H new ATOM 0 HA VAL A 112 -4.924 2.001 1.328 1.00 54.30 H new ATOM 0 HB VAL A 112 -7.372 2.698 -0.367 1.00 4.42 H new ATOM 0 HG11 VAL A 112 -5.905 4.436 -1.378 1.00 72.33 H new ATOM 0 HG12 VAL A 112 -6.138 4.694 0.367 1.00 72.33 H new ATOM 0 HG13 VAL A 112 -4.614 3.998 -0.233 1.00 72.33 H new ATOM 0 HG21 VAL A 112 -5.999 2.140 -2.348 1.00 64.41 H new ATOM 0 HG22 VAL A 112 -4.706 1.551 -1.277 1.00 64.41 H new ATOM 0 HG23 VAL A 112 -6.282 0.725 -1.307 1.00 64.41 H new ATOM 1774 N LYS A 113 -5.896 3.499 3.125 1.00 1.11 N ATOM 1775 CA LYS A 113 -6.369 4.373 4.209 1.00 31.53 C ATOM 1776 C LYS A 113 -5.381 5.536 4.351 1.00 72.31 C ATOM 1777 O LYS A 113 -4.264 5.342 4.828 1.00 63.24 O ATOM 1778 CB LYS A 113 -6.417 3.567 5.545 1.00 32.31 C ATOM 1779 CG LYS A 113 -7.351 2.342 5.522 1.00 43.22 C ATOM 1780 CD LYS A 113 -7.284 1.483 6.797 1.00 10.12 C ATOM 1781 CE LYS A 113 -7.493 2.273 8.082 1.00 54.43 C ATOM 1782 NZ LYS A 113 -7.553 1.375 9.255 1.00 72.45 N ATOM 0 H LYS A 113 -4.882 3.390 3.114 1.00 1.11 H new ATOM 0 HA LYS A 113 -7.367 4.748 3.983 1.00 31.53 H new ATOM 0 HB2 LYS A 113 -5.408 3.234 5.789 1.00 32.31 H new ATOM 0 HB3 LYS A 113 -6.735 4.235 6.346 1.00 32.31 H new ATOM 0 HG2 LYS A 113 -8.377 2.682 5.378 1.00 43.22 H new ATOM 0 HG3 LYS A 113 -7.098 1.720 4.663 1.00 43.22 H new ATOM 0 HD2 LYS A 113 -8.039 0.700 6.736 1.00 10.12 H new ATOM 0 HD3 LYS A 113 -6.314 0.988 6.840 1.00 10.12 H new ATOM 0 HE2 LYS A 113 -6.680 2.988 8.209 1.00 54.43 H new ATOM 0 HE3 LYS A 113 -8.416 2.848 8.013 1.00 54.43 H new ATOM 0 HZ1 LYS A 113 -7.193 1.874 10.093 1.00 72.45 H new ATOM 0 HZ2 LYS A 113 -8.538 1.086 9.421 1.00 72.45 H new ATOM 0 HZ3 LYS A 113 -6.970 0.532 9.077 1.00 72.45 H new ATOM 1796 N GLN A 114 -5.777 6.742 3.927 1.00 71.14 N ATOM 1797 CA GLN A 114 -4.946 7.950 4.084 1.00 34.52 C ATOM 1798 C GLN A 114 -5.502 8.837 5.211 1.00 70.35 C ATOM 1799 O GLN A 114 -6.666 8.705 5.605 1.00 63.15 O ATOM 1800 CB GLN A 114 -4.815 8.733 2.734 1.00 72.51 C ATOM 1801 CG GLN A 114 -6.134 9.183 2.056 1.00 40.51 C ATOM 1802 CD GLN A 114 -6.798 8.158 1.124 1.00 42.21 C ATOM 1803 OE1 GLN A 114 -6.677 6.947 1.299 1.00 40.22 O ATOM 1804 NE2 GLN A 114 -7.530 8.656 0.133 1.00 53.41 N ATOM 0 H GLN A 114 -6.673 6.912 3.469 1.00 71.14 H new ATOM 0 HA GLN A 114 -3.939 7.642 4.366 1.00 34.52 H new ATOM 0 HB2 GLN A 114 -4.206 9.619 2.913 1.00 72.51 H new ATOM 0 HB3 GLN A 114 -4.268 8.107 2.030 1.00 72.51 H new ATOM 0 HG2 GLN A 114 -6.847 9.450 2.836 1.00 40.51 H new ATOM 0 HG3 GLN A 114 -5.934 10.089 1.483 1.00 40.51 H new ATOM 0 HE21 GLN A 114 -7.610 9.666 0.016 1.00 53.41 H new ATOM 0 HE22 GLN A 114 -8.012 8.028 -0.510 1.00 53.41 H new ATOM 1813 N ASN A 115 -4.640 9.743 5.723 1.00 10.45 N ATOM 1814 CA ASN A 115 -4.950 10.608 6.889 1.00 4.30 C ATOM 1815 C ASN A 115 -6.113 11.565 6.577 1.00 53.01 C ATOM 1816 O ASN A 115 -6.900 11.916 7.453 1.00 12.51 O ATOM 1817 CB ASN A 115 -3.689 11.401 7.341 1.00 24.51 C ATOM 1818 CG ASN A 115 -3.301 12.570 6.419 1.00 3.11 C ATOM 1819 OD1 ASN A 115 -3.369 12.392 5.101 1.00 74.10 O flip ATOM 1820 ND2 ASN A 115 -2.897 13.628 6.895 1.00 64.14 N flip ATOM 0 H ASN A 115 -3.707 9.897 5.340 1.00 10.45 H new ATOM 0 HA ASN A 115 -5.259 9.962 7.711 1.00 4.30 H new ATOM 0 HB2 ASN A 115 -3.861 11.789 8.345 1.00 24.51 H new ATOM 0 HB3 ASN A 115 -2.847 10.712 7.406 1.00 24.51 H new ATOM 0 HD21 ASN A 115 -2.851 13.747 7.907 1.00 64.14 H new ATOM 0 HD22 ASN A 115 -2.607 14.387 6.278 1.00 64.14 H new ATOM 1827 N GLU A 116 -6.187 11.992 5.298 1.00 53.41 N ATOM 1828 CA GLU A 116 -7.291 12.787 4.760 1.00 74.12 C ATOM 1829 C GLU A 116 -7.758 12.112 3.477 1.00 11.31 C ATOM 1830 O GLU A 116 -7.055 12.176 2.457 1.00 63.43 O ATOM 1831 CB GLU A 116 -6.844 14.249 4.452 1.00 23.33 C ATOM 1832 CG GLU A 116 -6.388 15.051 5.680 1.00 64.31 C ATOM 1833 CD GLU A 116 -6.198 16.539 5.368 1.00 34.53 C ATOM 1834 OE1 GLU A 116 -5.196 16.894 4.718 1.00 23.12 O ATOM 1835 OE2 GLU A 116 -7.069 17.354 5.742 1.00 54.43 O ATOM 0 H GLU A 116 -5.466 11.786 4.607 1.00 53.41 H new ATOM 0 HA GLU A 116 -8.094 12.841 5.495 1.00 74.12 H new ATOM 0 HB2 GLU A 116 -6.028 14.221 3.730 1.00 23.33 H new ATOM 0 HB3 GLU A 116 -7.672 14.776 3.978 1.00 23.33 H new ATOM 0 HG2 GLU A 116 -7.124 14.941 6.476 1.00 64.31 H new ATOM 0 HG3 GLU A 116 -5.451 14.638 6.053 1.00 64.31 H new ATOM 1842 N ALA A 117 -8.920 11.447 3.524 1.00 32.02 N ATOM 1843 CA ALA A 117 -9.454 10.738 2.362 1.00 54.34 C ATOM 1844 C ALA A 117 -10.263 11.710 1.496 1.00 22.54 C ATOM 1845 O ALA A 117 -11.304 12.220 1.918 1.00 1.33 O ATOM 1846 CB ALA A 117 -10.315 9.550 2.828 1.00 72.21 C ATOM 0 H ALA A 117 -9.506 11.387 4.357 1.00 32.02 H new ATOM 0 HA ALA A 117 -8.636 10.344 1.759 1.00 54.34 H new ATOM 0 HB1 ALA A 117 -10.711 9.025 1.959 1.00 72.21 H new ATOM 0 HB2 ALA A 117 -9.704 8.867 3.418 1.00 72.21 H new ATOM 0 HB3 ALA A 117 -11.141 9.916 3.438 1.00 72.21 H new ATOM 1852 N ARG A 118 -9.741 11.997 0.305 1.00 33.21 N ATOM 1853 CA ARG A 118 -10.485 12.663 -0.767 1.00 32.23 C ATOM 1854 C ARG A 118 -10.690 11.650 -1.881 1.00 33.43 C ATOM 1855 O ARG A 118 -9.917 10.702 -2.000 1.00 63.43 O ATOM 1856 CB ARG A 118 -9.752 13.889 -1.361 1.00 74.12 C ATOM 1857 CG ARG A 118 -9.398 15.048 -0.405 1.00 4.22 C ATOM 1858 CD ARG A 118 -8.161 14.774 0.472 1.00 24.23 C ATOM 1859 NE ARG A 118 -7.810 15.923 1.324 1.00 2.33 N ATOM 1860 CZ ARG A 118 -6.733 16.710 1.169 1.00 65.53 C ATOM 1861 NH1 ARG A 118 -5.867 16.505 0.174 1.00 30.02 N ATOM 1862 NH2 ARG A 118 -6.512 17.705 2.014 1.00 41.13 N ATOM 0 H ARG A 118 -8.779 11.772 0.052 1.00 33.21 H new ATOM 0 HA ARG A 118 -11.420 13.026 -0.341 1.00 32.23 H new ATOM 0 HB2 ARG A 118 -8.827 13.537 -1.818 1.00 74.12 H new ATOM 0 HB3 ARG A 118 -10.370 14.293 -2.163 1.00 74.12 H new ATOM 0 HG2 ARG A 118 -9.224 15.950 -0.991 1.00 4.22 H new ATOM 0 HG3 ARG A 118 -10.253 15.248 0.241 1.00 4.22 H new ATOM 0 HD2 ARG A 118 -8.350 13.904 1.100 1.00 24.23 H new ATOM 0 HD3 ARG A 118 -7.313 14.527 -0.167 1.00 24.23 H new ATOM 0 HE ARG A 118 -8.439 16.139 2.098 1.00 2.33 H new ATOM 0 HH11 ARG A 118 -6.018 15.740 -0.484 1.00 30.02 H new ATOM 0 HH12 ARG A 118 -5.054 17.113 0.072 1.00 30.02 H new ATOM 0 HH21 ARG A 118 -7.160 17.874 2.783 1.00 41.13 H new ATOM 0 HH22 ARG A 118 -5.694 18.302 1.896 1.00 41.13 H new ATOM 1876 N THR A 119 -11.719 11.877 -2.694 1.00 31.21 N ATOM 1877 CA THR A 119 -11.997 11.076 -3.888 1.00 21.20 C ATOM 1878 C THR A 119 -10.844 11.207 -4.929 1.00 53.51 C ATOM 1879 O THR A 119 -10.550 10.244 -5.644 1.00 1.52 O ATOM 1880 CB THR A 119 -13.379 11.501 -4.495 1.00 34.51 C ATOM 1881 OG1 THR A 119 -14.391 11.459 -3.463 1.00 60.13 O ATOM 1882 CG2 THR A 119 -13.825 10.608 -5.673 1.00 43.11 C ATOM 0 H THR A 119 -12.391 12.629 -2.543 1.00 31.21 H new ATOM 0 HA THR A 119 -12.053 10.024 -3.609 1.00 21.20 H new ATOM 0 HB THR A 119 -13.255 12.512 -4.884 1.00 34.51 H new ATOM 0 HG1 THR A 119 -15.255 11.726 -3.841 1.00 60.13 H new ATOM 0 HG21 THR A 119 -14.788 10.954 -6.048 1.00 43.11 H new ATOM 0 HG22 THR A 119 -13.084 10.662 -6.471 1.00 43.11 H new ATOM 0 HG23 THR A 119 -13.918 9.577 -5.333 1.00 43.11 H new ATOM 1890 N GLU A 120 -10.157 12.386 -4.958 1.00 41.43 N ATOM 1891 CA GLU A 120 -9.084 12.651 -5.943 1.00 21.32 C ATOM 1892 C GLU A 120 -7.776 11.926 -5.543 1.00 74.42 C ATOM 1893 O GLU A 120 -7.220 11.180 -6.355 1.00 51.03 O ATOM 1894 CB GLU A 120 -8.896 14.197 -6.216 1.00 0.12 C ATOM 1895 CG GLU A 120 -7.724 14.955 -5.523 1.00 30.21 C ATOM 1896 CD GLU A 120 -8.014 15.385 -4.077 1.00 53.21 C ATOM 1897 OE1 GLU A 120 -9.026 16.083 -3.860 1.00 50.13 O ATOM 1898 OE2 GLU A 120 -7.248 15.031 -3.163 1.00 5.32 O ATOM 0 H GLU A 120 -10.331 13.157 -4.313 1.00 41.43 H new ATOM 0 HA GLU A 120 -9.389 12.230 -6.901 1.00 21.32 H new ATOM 0 HB2 GLU A 120 -8.781 14.328 -7.292 1.00 0.12 H new ATOM 0 HB3 GLU A 120 -9.823 14.695 -5.931 1.00 0.12 H new ATOM 0 HG2 GLU A 120 -6.840 14.317 -5.529 1.00 30.21 H new ATOM 0 HG3 GLU A 120 -7.482 15.840 -6.111 1.00 30.21 H new ATOM 1905 N THR A 121 -7.324 12.107 -4.277 1.00 21.02 N ATOM 1906 CA THR A 121 -6.126 11.414 -3.748 1.00 3.42 C ATOM 1907 C THR A 121 -6.322 9.889 -3.795 1.00 71.32 C ATOM 1908 O THR A 121 -5.400 9.160 -4.155 1.00 12.25 O ATOM 1909 CB THR A 121 -5.781 11.857 -2.272 1.00 42.52 C ATOM 1910 OG1 THR A 121 -6.990 12.140 -1.546 1.00 72.33 O ATOM 1911 CG2 THR A 121 -4.843 13.081 -2.217 1.00 32.43 C ATOM 0 H THR A 121 -7.773 12.728 -3.604 1.00 21.02 H new ATOM 0 HA THR A 121 -5.289 11.698 -4.386 1.00 3.42 H new ATOM 0 HB THR A 121 -5.251 11.024 -1.809 1.00 42.52 H new ATOM 0 HG1 THR A 121 -6.766 12.412 -0.632 1.00 72.33 H new ATOM 0 HG21 THR A 121 -4.642 13.339 -1.177 1.00 32.43 H new ATOM 0 HG22 THR A 121 -3.906 12.844 -2.720 1.00 32.43 H new ATOM 0 HG23 THR A 121 -5.318 13.926 -2.715 1.00 32.43 H new ATOM 1919 N LEU A 122 -7.543 9.444 -3.430 1.00 14.04 N ATOM 1920 CA LEU A 122 -7.886 8.017 -3.363 1.00 1.33 C ATOM 1921 C LEU A 122 -7.798 7.344 -4.743 1.00 43.23 C ATOM 1922 O LEU A 122 -7.012 6.426 -4.905 1.00 61.41 O ATOM 1923 CB LEU A 122 -9.305 7.827 -2.772 1.00 4.44 C ATOM 1924 CG LEU A 122 -9.708 6.366 -2.426 1.00 54.53 C ATOM 1925 CD1 LEU A 122 -8.714 5.748 -1.425 1.00 33.42 C ATOM 1926 CD2 LEU A 122 -11.154 6.309 -1.898 1.00 61.52 C ATOM 0 H LEU A 122 -8.312 10.064 -3.176 1.00 14.04 H new ATOM 0 HA LEU A 122 -7.157 7.538 -2.709 1.00 1.33 H new ATOM 0 HB2 LEU A 122 -9.384 8.429 -1.867 1.00 4.44 H new ATOM 0 HB3 LEU A 122 -10.030 8.224 -3.483 1.00 4.44 H new ATOM 0 HG LEU A 122 -9.668 5.772 -3.339 1.00 54.53 H new ATOM 0 HD11 LEU A 122 -9.015 4.726 -1.197 1.00 33.42 H new ATOM 0 HD12 LEU A 122 -7.715 5.743 -1.860 1.00 33.42 H new ATOM 0 HD13 LEU A 122 -8.707 6.337 -0.508 1.00 33.42 H new ATOM 0 HD21 LEU A 122 -11.415 5.277 -1.662 1.00 61.52 H new ATOM 0 HD22 LEU A 122 -11.237 6.919 -0.998 1.00 61.52 H new ATOM 0 HD23 LEU A 122 -11.835 6.690 -2.659 1.00 61.52 H new ATOM 1938 N ASN A 123 -8.553 7.868 -5.739 1.00 43.13 N ATOM 1939 CA ASN A 123 -8.679 7.235 -7.082 1.00 51.40 C ATOM 1940 C ASN A 123 -7.338 7.222 -7.814 1.00 15.11 C ATOM 1941 O ASN A 123 -6.993 6.243 -8.492 1.00 72.42 O ATOM 1942 CB ASN A 123 -9.768 7.945 -7.939 1.00 71.14 C ATOM 1943 CG ASN A 123 -11.188 7.536 -7.551 1.00 10.02 C ATOM 1944 OD1 ASN A 123 -11.448 6.376 -7.215 1.00 35.13 O ATOM 1945 ND2 ASN A 123 -12.112 8.479 -7.561 1.00 3.44 N ATOM 0 H ASN A 123 -9.087 8.731 -5.640 1.00 43.13 H new ATOM 0 HA ASN A 123 -8.990 6.202 -6.930 1.00 51.40 H new ATOM 0 HB2 ASN A 123 -9.663 9.024 -7.829 1.00 71.14 H new ATOM 0 HB3 ASN A 123 -9.603 7.714 -8.991 1.00 71.14 H new ATOM 0 HD21 ASN A 123 -13.069 8.258 -7.287 1.00 3.44 H new ATOM 0 HD22 ASN A 123 -11.869 9.429 -7.843 1.00 3.44 H new ATOM 1952 N SER A 124 -6.586 8.309 -7.640 1.00 71.42 N ATOM 1953 CA SER A 124 -5.244 8.447 -8.205 1.00 62.11 C ATOM 1954 C SER A 124 -4.272 7.416 -7.583 1.00 44.30 C ATOM 1955 O SER A 124 -3.472 6.806 -8.294 1.00 71.32 O ATOM 1956 CB SER A 124 -4.752 9.875 -7.970 1.00 63.32 C ATOM 1957 OG SER A 124 -5.633 10.821 -8.556 1.00 21.43 O ATOM 0 H SER A 124 -6.891 9.120 -7.102 1.00 71.42 H new ATOM 0 HA SER A 124 -5.281 8.250 -9.276 1.00 62.11 H new ATOM 0 HB2 SER A 124 -4.671 10.064 -6.900 1.00 63.32 H new ATOM 0 HB3 SER A 124 -3.754 9.993 -8.391 1.00 63.32 H new ATOM 0 HG SER A 124 -6.310 11.088 -7.899 1.00 21.43 H new ATOM 1963 N PHE A 125 -4.397 7.201 -6.256 1.00 65.44 N ATOM 1964 CA PHE A 125 -3.529 6.269 -5.507 1.00 44.24 C ATOM 1965 C PHE A 125 -3.865 4.806 -5.854 1.00 33.33 C ATOM 1966 O PHE A 125 -2.966 3.964 -5.925 1.00 60.34 O ATOM 1967 CB PHE A 125 -3.649 6.520 -3.984 1.00 31.54 C ATOM 1968 CG PHE A 125 -2.567 5.832 -3.157 1.00 0.35 C ATOM 1969 CD1 PHE A 125 -1.260 6.325 -3.150 1.00 74.25 C ATOM 1970 CD2 PHE A 125 -2.845 4.704 -2.388 1.00 51.40 C ATOM 1971 CE1 PHE A 125 -0.275 5.706 -2.409 1.00 61.22 C ATOM 1972 CE2 PHE A 125 -1.855 4.089 -1.648 1.00 64.11 C ATOM 1973 CZ PHE A 125 -0.573 4.591 -1.652 1.00 74.00 C ATOM 0 H PHE A 125 -5.097 7.665 -5.678 1.00 65.44 H new ATOM 0 HA PHE A 125 -2.496 6.452 -5.801 1.00 44.24 H new ATOM 0 HB2 PHE A 125 -3.607 7.593 -3.798 1.00 31.54 H new ATOM 0 HB3 PHE A 125 -4.626 6.176 -3.645 1.00 31.54 H new ATOM 0 HD1 PHE A 125 -1.018 7.202 -3.732 1.00 74.25 H new ATOM 0 HD2 PHE A 125 -3.849 4.305 -2.371 1.00 51.40 H new ATOM 0 HE1 PHE A 125 0.732 6.095 -2.421 1.00 61.22 H new ATOM 0 HE2 PHE A 125 -2.087 3.211 -1.064 1.00 64.11 H new ATOM 0 HZ PHE A 125 0.197 4.114 -1.064 1.00 74.00 H new ATOM 1983 N ILE A 126 -5.172 4.540 -6.080 1.00 4.42 N ATOM 1984 CA ILE A 126 -5.679 3.224 -6.519 1.00 74.41 C ATOM 1985 C ILE A 126 -5.033 2.860 -7.865 1.00 55.11 C ATOM 1986 O ILE A 126 -4.457 1.791 -8.005 1.00 12.23 O ATOM 1987 CB ILE A 126 -7.258 3.226 -6.675 1.00 24.50 C ATOM 1988 CG1 ILE A 126 -7.973 3.538 -5.321 1.00 43.15 C ATOM 1989 CG2 ILE A 126 -7.782 1.888 -7.260 1.00 71.24 C ATOM 1990 CD1 ILE A 126 -9.465 3.834 -5.448 1.00 74.52 C ATOM 0 H ILE A 126 -5.907 5.238 -5.962 1.00 4.42 H new ATOM 0 HA ILE A 126 -5.419 2.488 -5.758 1.00 74.41 H new ATOM 0 HB ILE A 126 -7.498 4.022 -7.380 1.00 24.50 H new ATOM 0 HG12 ILE A 126 -7.839 2.690 -4.650 1.00 43.15 H new ATOM 0 HG13 ILE A 126 -7.484 4.393 -4.855 1.00 43.15 H new ATOM 0 HG21 ILE A 126 -8.867 1.931 -7.351 1.00 71.24 H new ATOM 0 HG22 ILE A 126 -7.342 1.724 -8.244 1.00 71.24 H new ATOM 0 HG23 ILE A 126 -7.505 1.068 -6.597 1.00 71.24 H new ATOM 0 HD11 ILE A 126 -9.880 4.039 -4.461 1.00 74.52 H new ATOM 0 HD12 ILE A 126 -9.610 4.702 -6.091 1.00 74.52 H new ATOM 0 HD13 ILE A 126 -9.971 2.972 -5.883 1.00 74.52 H new ATOM 2002 N SER A 127 -5.074 3.818 -8.816 1.00 34.53 N ATOM 2003 CA SER A 127 -4.572 3.609 -10.180 1.00 35.24 C ATOM 2004 C SER A 127 -3.029 3.465 -10.204 1.00 44.04 C ATOM 2005 O SER A 127 -2.490 2.784 -11.083 1.00 35.41 O ATOM 2006 CB SER A 127 -5.078 4.730 -11.117 1.00 23.13 C ATOM 2007 OG SER A 127 -4.804 6.019 -10.604 1.00 21.04 O ATOM 0 H SER A 127 -5.455 4.751 -8.656 1.00 34.53 H new ATOM 0 HA SER A 127 -4.970 2.666 -10.554 1.00 35.24 H new ATOM 0 HB2 SER A 127 -4.609 4.623 -12.095 1.00 23.13 H new ATOM 0 HB3 SER A 127 -6.152 4.620 -11.265 1.00 23.13 H new ATOM 0 HG SER A 127 -4.271 5.939 -9.786 1.00 21.04 H new ATOM 2013 N VAL A 128 -2.320 4.094 -9.224 1.00 14.44 N ATOM 2014 CA VAL A 128 -0.870 3.867 -9.027 1.00 15.15 C ATOM 2015 C VAL A 128 -0.628 2.386 -8.663 1.00 44.33 C ATOM 2016 O VAL A 128 0.109 1.688 -9.366 1.00 54.43 O ATOM 2017 CB VAL A 128 -0.245 4.814 -7.917 1.00 21.31 C ATOM 2018 CG1 VAL A 128 1.219 4.426 -7.581 1.00 23.35 C ATOM 2019 CG2 VAL A 128 -0.316 6.297 -8.349 1.00 74.32 C ATOM 0 H VAL A 128 -2.731 4.756 -8.566 1.00 14.44 H new ATOM 0 HA VAL A 128 -0.369 4.111 -9.964 1.00 15.15 H new ATOM 0 HB VAL A 128 -0.842 4.681 -7.015 1.00 21.31 H new ATOM 0 HG11 VAL A 128 1.608 5.100 -6.817 1.00 23.35 H new ATOM 0 HG12 VAL A 128 1.248 3.401 -7.210 1.00 23.35 H new ATOM 0 HG13 VAL A 128 1.831 4.504 -8.479 1.00 23.35 H new ATOM 0 HG21 VAL A 128 0.119 6.924 -7.571 1.00 74.32 H new ATOM 0 HG22 VAL A 128 0.240 6.433 -9.277 1.00 74.32 H new ATOM 0 HG23 VAL A 128 -1.357 6.581 -8.505 1.00 74.32 H new ATOM 2029 N LEU A 129 -1.310 1.925 -7.585 1.00 52.35 N ATOM 2030 CA LEU A 129 -1.221 0.530 -7.085 1.00 44.34 C ATOM 2031 C LEU A 129 -1.618 -0.499 -8.166 1.00 22.54 C ATOM 2032 O LEU A 129 -1.062 -1.602 -8.208 1.00 1.54 O ATOM 2033 CB LEU A 129 -2.105 0.337 -5.821 1.00 60.23 C ATOM 2034 CG LEU A 129 -1.751 1.244 -4.603 1.00 75.15 C ATOM 2035 CD1 LEU A 129 -2.756 1.036 -3.459 1.00 12.00 C ATOM 2036 CD2 LEU A 129 -0.298 1.021 -4.119 1.00 13.35 C ATOM 0 H LEU A 129 -1.939 2.512 -7.037 1.00 52.35 H new ATOM 0 HA LEU A 129 -0.178 0.354 -6.822 1.00 44.34 H new ATOM 0 HB2 LEU A 129 -3.144 0.519 -6.096 1.00 60.23 H new ATOM 0 HB3 LEU A 129 -2.036 -0.705 -5.507 1.00 60.23 H new ATOM 0 HG LEU A 129 -1.821 2.280 -4.935 1.00 75.15 H new ATOM 0 HD11 LEU A 129 -2.490 1.679 -2.620 1.00 12.00 H new ATOM 0 HD12 LEU A 129 -3.758 1.288 -3.805 1.00 12.00 H new ATOM 0 HD13 LEU A 129 -2.733 -0.006 -3.140 1.00 12.00 H new ATOM 0 HD21 LEU A 129 -0.093 1.673 -3.269 1.00 13.35 H new ATOM 0 HD22 LEU A 129 -0.170 -0.019 -3.818 1.00 13.35 H new ATOM 0 HD23 LEU A 129 0.395 1.252 -4.928 1.00 13.35 H new ATOM 2048 N GLU A 130 -2.573 -0.117 -9.041 1.00 21.25 N ATOM 2049 CA GLU A 130 -3.018 -0.957 -10.169 1.00 13.22 C ATOM 2050 C GLU A 130 -1.892 -1.128 -11.202 1.00 45.31 C ATOM 2051 O GLU A 130 -1.714 -2.221 -11.750 1.00 24.00 O ATOM 2052 CB GLU A 130 -4.295 -0.368 -10.837 1.00 31.55 C ATOM 2053 CG GLU A 130 -5.573 -0.398 -9.954 1.00 53.42 C ATOM 2054 CD GLU A 130 -6.264 -1.772 -9.810 1.00 42.41 C ATOM 2055 OE1 GLU A 130 -5.585 -2.804 -9.687 1.00 61.42 O ATOM 2056 OE2 GLU A 130 -7.508 -1.829 -9.814 1.00 42.04 O ATOM 0 H GLU A 130 -3.055 0.780 -8.984 1.00 21.25 H new ATOM 0 HA GLU A 130 -3.269 -1.941 -9.773 1.00 13.22 H new ATOM 0 HB2 GLU A 130 -4.094 0.664 -11.123 1.00 31.55 H new ATOM 0 HB3 GLU A 130 -4.494 -0.920 -11.756 1.00 31.55 H new ATOM 0 HG2 GLU A 130 -5.311 -0.039 -8.959 1.00 53.42 H new ATOM 0 HG3 GLU A 130 -6.294 0.307 -10.368 1.00 53.42 H new ATOM 2063 N THR A 131 -1.140 -0.040 -11.468 1.00 15.11 N ATOM 2064 CA THR A 131 0.033 -0.087 -12.368 1.00 61.42 C ATOM 2065 C THR A 131 1.170 -0.935 -11.755 1.00 24.21 C ATOM 2066 O THR A 131 1.812 -1.718 -12.463 1.00 50.11 O ATOM 2067 CB THR A 131 0.560 1.344 -12.704 1.00 35.22 C ATOM 2068 OG1 THR A 131 -0.540 2.161 -13.126 1.00 1.13 O ATOM 2069 CG2 THR A 131 1.627 1.329 -13.821 1.00 63.13 C ATOM 0 H THR A 131 -1.324 0.882 -11.073 1.00 15.11 H new ATOM 0 HA THR A 131 -0.296 -0.556 -13.295 1.00 61.42 H new ATOM 0 HB THR A 131 1.025 1.744 -11.803 1.00 35.22 H new ATOM 0 HG1 THR A 131 -1.109 2.367 -12.355 1.00 1.13 H new ATOM 0 HG21 THR A 131 1.962 2.347 -14.018 1.00 63.13 H new ATOM 0 HG22 THR A 131 2.476 0.723 -13.505 1.00 63.13 H new ATOM 0 HG23 THR A 131 1.197 0.906 -14.729 1.00 63.13 H new ATOM 2077 N VAL A 132 1.370 -0.791 -10.428 1.00 72.04 N ATOM 2078 CA VAL A 132 2.470 -1.457 -9.696 1.00 3.13 C ATOM 2079 C VAL A 132 2.283 -2.984 -9.671 1.00 0.51 C ATOM 2080 O VAL A 132 3.149 -3.723 -10.131 1.00 44.22 O ATOM 2081 CB VAL A 132 2.586 -0.905 -8.221 1.00 22.55 C ATOM 2082 CG1 VAL A 132 3.663 -1.664 -7.407 1.00 50.52 C ATOM 2083 CG2 VAL A 132 2.881 0.609 -8.238 1.00 23.03 C ATOM 0 H VAL A 132 0.776 -0.212 -9.835 1.00 72.04 H new ATOM 0 HA VAL A 132 3.394 -1.232 -10.228 1.00 3.13 H new ATOM 0 HB VAL A 132 1.629 -1.072 -7.727 1.00 22.55 H new ATOM 0 HG11 VAL A 132 3.712 -1.255 -6.398 1.00 50.52 H new ATOM 0 HG12 VAL A 132 3.403 -2.721 -7.357 1.00 50.52 H new ATOM 0 HG13 VAL A 132 4.633 -1.551 -7.892 1.00 50.52 H new ATOM 0 HG21 VAL A 132 2.958 0.976 -7.215 1.00 23.03 H new ATOM 0 HG22 VAL A 132 3.820 0.791 -8.761 1.00 23.03 H new ATOM 0 HG23 VAL A 132 2.073 1.131 -8.751 1.00 23.03 H new ATOM 2093 N ILE A 133 1.125 -3.427 -9.159 1.00 5.42 N ATOM 2094 CA ILE A 133 0.791 -4.859 -9.027 1.00 52.32 C ATOM 2095 C ILE A 133 0.569 -5.477 -10.427 1.00 74.22 C ATOM 2096 O ILE A 133 1.030 -6.595 -10.720 1.00 35.15 O ATOM 2097 CB ILE A 133 -0.473 -5.046 -8.097 1.00 32.02 C ATOM 2098 CG1 ILE A 133 -0.154 -4.509 -6.657 1.00 1.22 C ATOM 2099 CG2 ILE A 133 -0.959 -6.522 -8.060 1.00 3.34 C ATOM 2100 CD1 ILE A 133 -1.309 -4.572 -5.672 1.00 54.42 C ATOM 0 H ILE A 133 0.390 -2.804 -8.823 1.00 5.42 H new ATOM 0 HA ILE A 133 1.623 -5.383 -8.556 1.00 52.32 H new ATOM 0 HB ILE A 133 -1.294 -4.464 -8.516 1.00 32.02 H new ATOM 0 HG12 ILE A 133 0.681 -5.080 -6.250 1.00 1.22 H new ATOM 0 HG13 ILE A 133 0.177 -3.474 -6.738 1.00 1.22 H new ATOM 0 HG21 ILE A 133 -1.829 -6.602 -7.409 1.00 3.34 H new ATOM 0 HG22 ILE A 133 -1.228 -6.842 -9.067 1.00 3.34 H new ATOM 0 HG23 ILE A 133 -0.161 -7.159 -7.679 1.00 3.34 H new ATOM 0 HD11 ILE A 133 -0.987 -4.178 -4.708 1.00 54.42 H new ATOM 0 HD12 ILE A 133 -2.141 -3.976 -6.048 1.00 54.42 H new ATOM 0 HD13 ILE A 133 -1.629 -5.607 -5.553 1.00 54.42 H new ATOM 2112 N GLY A 134 -0.087 -4.686 -11.296 1.00 2.54 N ATOM 2113 CA GLY A 134 -0.377 -5.082 -12.669 1.00 22.14 C ATOM 2114 C GLY A 134 0.868 -5.432 -13.482 1.00 0.22 C ATOM 2115 O GLY A 134 0.929 -6.512 -14.069 1.00 0.22 O ATOM 0 H GLY A 134 -0.428 -3.755 -11.057 1.00 2.54 H new ATOM 0 HA2 GLY A 134 -1.046 -5.943 -12.656 1.00 22.14 H new ATOM 0 HA3 GLY A 134 -0.910 -4.272 -13.167 1.00 22.14 H new ATOM 2119 N THR A 135 1.893 -4.545 -13.456 1.00 72.20 N ATOM 2120 CA THR A 135 3.116 -4.701 -14.284 1.00 74.35 C ATOM 2121 C THR A 135 3.930 -5.956 -13.895 1.00 41.43 C ATOM 2122 O THR A 135 4.726 -6.443 -14.697 1.00 74.44 O ATOM 2123 CB THR A 135 4.036 -3.426 -14.231 1.00 51.23 C ATOM 2124 OG1 THR A 135 5.058 -3.495 -15.249 1.00 64.44 O ATOM 2125 CG2 THR A 135 4.707 -3.222 -12.860 1.00 65.44 C ATOM 0 H THR A 135 1.897 -3.711 -12.869 1.00 72.20 H new ATOM 0 HA THR A 135 2.766 -4.827 -15.309 1.00 74.35 H new ATOM 0 HB THR A 135 3.380 -2.574 -14.409 1.00 51.23 H new ATOM 0 HG1 THR A 135 5.248 -4.433 -15.459 1.00 64.44 H new ATOM 0 HG21 THR A 135 5.328 -2.327 -12.888 1.00 65.44 H new ATOM 0 HG22 THR A 135 3.941 -3.108 -12.093 1.00 65.44 H new ATOM 0 HG23 THR A 135 5.328 -4.087 -12.627 1.00 65.44 H new ATOM 2133 N ILE A 136 3.697 -6.469 -12.669 1.00 24.34 N ATOM 2134 CA ILE A 136 4.387 -7.664 -12.145 1.00 75.54 C ATOM 2135 C ILE A 136 3.790 -8.931 -12.777 1.00 51.25 C ATOM 2136 O ILE A 136 4.516 -9.823 -13.228 1.00 53.33 O ATOM 2137 CB ILE A 136 4.251 -7.746 -10.584 1.00 40.43 C ATOM 2138 CG1 ILE A 136 4.779 -6.442 -9.914 1.00 62.40 C ATOM 2139 CG2 ILE A 136 4.963 -8.997 -10.015 1.00 72.10 C ATOM 2140 CD1 ILE A 136 4.360 -6.282 -8.467 1.00 51.34 C ATOM 0 H ILE A 136 3.025 -6.066 -12.016 1.00 24.34 H new ATOM 0 HA ILE A 136 5.444 -7.589 -12.401 1.00 75.54 H new ATOM 0 HB ILE A 136 3.191 -7.843 -10.348 1.00 40.43 H new ATOM 0 HG12 ILE A 136 5.868 -6.432 -9.970 1.00 62.40 H new ATOM 0 HG13 ILE A 136 4.422 -5.583 -10.482 1.00 62.40 H new ATOM 0 HG21 ILE A 136 4.847 -9.020 -8.931 1.00 72.10 H new ATOM 0 HG22 ILE A 136 4.521 -9.895 -10.446 1.00 72.10 H new ATOM 0 HG23 ILE A 136 6.023 -8.958 -10.266 1.00 72.10 H new ATOM 0 HD11 ILE A 136 4.766 -5.351 -8.071 1.00 51.34 H new ATOM 0 HD12 ILE A 136 3.272 -6.259 -8.404 1.00 51.34 H new ATOM 0 HD13 ILE A 136 4.740 -7.121 -7.883 1.00 51.34 H new ATOM 2152 N GLU A 137 2.452 -8.980 -12.824 1.00 5.33 N ATOM 2153 CA GLU A 137 1.725 -10.145 -13.322 1.00 71.55 C ATOM 2154 C GLU A 137 1.511 -10.007 -14.828 1.00 64.44 C ATOM 2155 O GLU A 137 1.254 -8.915 -15.333 1.00 33.03 O ATOM 2156 CB GLU A 137 0.385 -10.304 -12.555 1.00 61.01 C ATOM 2157 CG GLU A 137 0.554 -10.649 -11.056 1.00 14.30 C ATOM 2158 CD GLU A 137 1.343 -11.960 -10.828 1.00 73.13 C ATOM 2159 OE1 GLU A 137 0.725 -13.055 -10.837 1.00 11.32 O ATOM 2160 OE2 GLU A 137 2.593 -11.902 -10.658 1.00 13.21 O ATOM 0 H GLU A 137 1.850 -8.215 -12.519 1.00 5.33 H new ATOM 0 HA GLU A 137 2.308 -11.050 -13.148 1.00 71.55 H new ATOM 0 HB2 GLU A 137 -0.184 -9.378 -12.642 1.00 61.01 H new ATOM 0 HB3 GLU A 137 -0.205 -11.086 -13.033 1.00 61.01 H new ATOM 0 HG2 GLU A 137 1.068 -9.829 -10.555 1.00 14.30 H new ATOM 0 HG3 GLU A 137 -0.430 -10.737 -10.595 1.00 14.30 H new ATOM 2167 N GLU A 138 1.688 -11.118 -15.546 1.00 14.13 N ATOM 2168 CA GLU A 138 1.448 -11.202 -17.002 1.00 2.11 C ATOM 2169 C GLU A 138 0.353 -12.242 -17.312 1.00 74.31 C ATOM 2170 O GLU A 138 -0.026 -12.428 -18.476 1.00 53.30 O ATOM 2171 CB GLU A 138 2.771 -11.539 -17.747 1.00 21.33 C ATOM 2172 CG GLU A 138 3.495 -12.804 -17.242 1.00 23.51 C ATOM 2173 CD GLU A 138 4.674 -13.224 -18.138 1.00 4.02 C ATOM 2174 OE1 GLU A 138 4.440 -13.894 -19.165 1.00 14.51 O ATOM 2175 OE2 GLU A 138 5.835 -12.886 -17.826 1.00 1.33 O ATOM 0 H GLU A 138 2.005 -11.997 -15.136 1.00 14.13 H new ATOM 0 HA GLU A 138 1.096 -10.233 -17.356 1.00 2.11 H new ATOM 0 HB2 GLU A 138 2.553 -11.662 -18.808 1.00 21.33 H new ATOM 0 HB3 GLU A 138 3.448 -10.690 -17.657 1.00 21.33 H new ATOM 0 HG2 GLU A 138 3.860 -12.627 -16.231 1.00 23.51 H new ATOM 0 HG3 GLU A 138 2.781 -13.625 -17.183 1.00 23.51 H new ATOM 2182 N ILE A 139 -0.155 -12.901 -16.250 1.00 22.22 N ATOM 2183 CA ILE A 139 -1.252 -13.890 -16.336 1.00 63.20 C ATOM 2184 C ILE A 139 -2.586 -13.247 -16.768 1.00 31.41 C ATOM 2185 O ILE A 139 -2.710 -12.010 -16.770 1.00 32.22 O ATOM 2186 CB ILE A 139 -1.414 -14.697 -14.971 1.00 60.24 C ATOM 2187 CG1 ILE A 139 -1.374 -13.771 -13.685 1.00 33.43 C ATOM 2188 CG2 ILE A 139 -0.339 -15.804 -14.894 1.00 51.41 C ATOM 2189 CD1 ILE A 139 -2.635 -12.958 -13.388 1.00 31.41 C ATOM 0 H ILE A 139 0.187 -12.761 -15.299 1.00 22.22 H new ATOM 0 HA ILE A 139 -0.976 -14.601 -17.115 1.00 63.20 H new ATOM 0 HB ILE A 139 -2.406 -15.148 -14.977 1.00 60.24 H new ATOM 0 HG12 ILE A 139 -1.161 -14.399 -12.820 1.00 33.43 H new ATOM 0 HG13 ILE A 139 -0.539 -13.079 -13.789 1.00 33.43 H new ATOM 0 HG21 ILE A 139 -0.451 -16.355 -13.960 1.00 51.41 H new ATOM 0 HG22 ILE A 139 -0.459 -16.487 -15.735 1.00 51.41 H new ATOM 0 HG23 ILE A 139 0.652 -15.352 -14.932 1.00 51.41 H new ATOM 0 HD11 ILE A 139 -2.482 -12.367 -12.485 1.00 31.41 H new ATOM 0 HD12 ILE A 139 -2.845 -12.293 -14.226 1.00 31.41 H new ATOM 0 HD13 ILE A 139 -3.477 -13.634 -13.241 1.00 31.41 H new ATOM 2201 N LYS A 140 -3.560 -14.111 -17.136 1.00 4.30 N ATOM 2202 CA LYS A 140 -4.899 -13.700 -17.614 1.00 50.34 C ATOM 2203 C LYS A 140 -4.766 -12.934 -18.960 1.00 21.04 C ATOM 2204 O LYS A 140 -5.537 -12.014 -19.268 1.00 24.44 O ATOM 2205 CB LYS A 140 -5.656 -12.868 -16.517 1.00 1.10 C ATOM 2206 CG LYS A 140 -7.187 -12.759 -16.714 1.00 73.43 C ATOM 2207 CD LYS A 140 -7.902 -11.844 -15.684 1.00 34.12 C ATOM 2208 CE LYS A 140 -7.638 -10.335 -15.886 1.00 11.30 C ATOM 2209 NZ LYS A 140 -6.255 -9.915 -15.515 1.00 74.50 N ATOM 0 H LYS A 140 -3.436 -15.123 -17.109 1.00 4.30 H new ATOM 0 HA LYS A 140 -5.505 -14.587 -17.799 1.00 50.34 H new ATOM 0 HB2 LYS A 140 -5.462 -13.319 -15.544 1.00 1.10 H new ATOM 0 HB3 LYS A 140 -5.236 -11.862 -16.492 1.00 1.10 H new ATOM 0 HG2 LYS A 140 -7.386 -12.382 -17.717 1.00 73.43 H new ATOM 0 HG3 LYS A 140 -7.620 -13.757 -16.657 1.00 73.43 H new ATOM 0 HD2 LYS A 140 -8.976 -12.024 -15.739 1.00 34.12 H new ATOM 0 HD3 LYS A 140 -7.582 -12.126 -14.681 1.00 34.12 H new ATOM 0 HE2 LYS A 140 -7.818 -10.080 -16.930 1.00 11.30 H new ATOM 0 HE3 LYS A 140 -8.353 -9.767 -15.291 1.00 11.30 H new ATOM 0 HZ1 LYS A 140 -6.291 -9.005 -15.013 1.00 74.50 H new ATOM 0 HZ2 LYS A 140 -5.828 -10.634 -14.897 1.00 74.50 H new ATOM 0 HZ3 LYS A 140 -5.681 -9.813 -16.376 1.00 74.50 H new ATOM 2223 N SER A 141 -3.776 -13.360 -19.759 1.00 52.03 N ATOM 2224 CA SER A 141 -3.460 -12.770 -21.070 1.00 65.41 C ATOM 2225 C SER A 141 -4.552 -13.143 -22.105 1.00 33.45 C ATOM 2226 O SER A 141 -5.221 -12.240 -22.649 1.00 30.43 O ATOM 2227 CB SER A 141 -2.057 -13.249 -21.536 1.00 52.11 C ATOM 2228 OG SER A 141 -1.666 -12.630 -22.753 1.00 54.32 O ATOM 2229 OXT SER A 141 -4.780 -14.350 -22.332 1.00 38.64 O ATOM 0 H SER A 141 -3.163 -14.136 -19.509 1.00 52.03 H new ATOM 0 HA SER A 141 -3.441 -11.684 -20.982 1.00 65.41 H new ATOM 0 HB2 SER A 141 -1.322 -13.027 -20.763 1.00 52.11 H new ATOM 0 HB3 SER A 141 -2.067 -14.331 -21.665 1.00 52.11 H new ATOM 0 HG SER A 141 -0.779 -12.954 -23.014 1.00 54.32 H new TER 2235 SER A 141