USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot -134:sc= 0.931 USER MOD Set 1.2: A 26 SER OG : rot 0:sc= 1.2 USER MOD Set 1.3: A 48 THR OG1 : rot -31:sc= 0.399 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.115 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.103 (180deg=-0.616) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= 0.598 (180deg=-0.25) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= -0.801 (180deg=-0.873) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00415) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.09 F(o=-2.8!,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00344 X(o=-0.0034,f=-0.1) USER MOD Single : A 34 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.017) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0196) USER MOD Single : A 36 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -75:sc= 0.117 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.155 X(o=0.15,f=0) USER MOD Single : A 55 TYR OH : rot 139:sc= 0.905 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 62 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.45) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 65 THR OG1 : rot -9:sc= 0.466 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= -0.801 (180deg=-2.86!) USER MOD Single : A 72 THR OG1 : rot 144:sc= 0.308 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0.281 K(o=0.28,f=-1.7!) USER MOD Single : A 81 HIS : no HD1:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.368 K(o=0.37,f=-1.2) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 84 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.630 -2.688 3.879 1.00 74.34 N ATOM 2 CA MET A 1 -20.398 -3.351 4.373 1.00 64.42 C ATOM 3 C MET A 1 -20.181 -2.951 5.858 1.00 51.21 C ATOM 4 O MET A 1 -19.608 -1.890 6.129 1.00 51.52 O ATOM 5 CB MET A 1 -19.185 -2.954 3.471 1.00 70.11 C ATOM 6 CG MET A 1 -19.401 -3.259 1.979 1.00 60.15 C ATOM 7 SD MET A 1 -18.086 -2.650 0.904 1.00 12.13 S ATOM 8 CE MET A 1 -18.145 -0.874 1.173 1.00 42.14 C ATOM 0 H1 MET A 1 -21.968 -3.176 3.025 1.00 74.34 H new ATOM 0 H2 MET A 1 -22.364 -2.728 4.614 1.00 74.34 H new ATOM 0 H3 MET A 1 -21.422 -1.695 3.650 1.00 74.34 H new ATOM 0 HA MET A 1 -20.495 -4.435 4.321 1.00 64.42 H new ATOM 0 HB2 MET A 1 -18.987 -1.889 3.591 1.00 70.11 H new ATOM 0 HB3 MET A 1 -18.297 -3.484 3.817 1.00 70.11 H new ATOM 0 HG2 MET A 1 -19.491 -4.337 1.849 1.00 60.15 H new ATOM 0 HG3 MET A 1 -20.347 -2.819 1.663 1.00 60.15 H new ATOM 0 HE1 MET A 1 -17.612 -0.366 0.369 1.00 42.14 H new ATOM 0 HE2 MET A 1 -19.183 -0.542 1.187 1.00 42.14 H new ATOM 0 HE3 MET A 1 -17.675 -0.635 2.127 1.00 42.14 H new ATOM 20 N PRO A 2 -20.701 -3.775 6.845 1.00 63.44 N ATOM 21 CA PRO A 2 -20.628 -3.464 8.310 1.00 3.11 C ATOM 22 C PRO A 2 -19.183 -3.269 8.811 1.00 51.12 C ATOM 23 O PRO A 2 -18.876 -2.301 9.520 1.00 70.11 O ATOM 24 CB PRO A 2 -21.299 -4.701 8.983 1.00 54.31 C ATOM 25 CG PRO A 2 -22.155 -5.301 7.906 1.00 12.33 C ATOM 26 CD PRO A 2 -21.405 -5.069 6.611 1.00 40.40 C ATOM 0 HA PRO A 2 -21.122 -2.522 8.548 1.00 3.11 H new ATOM 0 HB2 PRO A 2 -20.553 -5.412 9.338 1.00 54.31 H new ATOM 0 HB3 PRO A 2 -21.896 -4.407 9.846 1.00 54.31 H new ATOM 0 HG2 PRO A 2 -22.316 -6.365 8.080 1.00 12.33 H new ATOM 0 HG3 PRO A 2 -23.138 -4.830 7.879 1.00 12.33 H new ATOM 0 HD2 PRO A 2 -20.703 -5.876 6.403 1.00 40.40 H new ATOM 0 HD3 PRO A 2 -22.083 -5.009 5.759 1.00 40.40 H new ATOM 34 N SER A 3 -18.303 -4.208 8.427 1.00 13.33 N ATOM 35 CA SER A 3 -16.875 -4.123 8.725 1.00 24.33 C ATOM 36 C SER A 3 -16.200 -3.273 7.636 1.00 1.32 C ATOM 37 O SER A 3 -16.016 -3.740 6.512 1.00 62.41 O ATOM 38 CB SER A 3 -16.259 -5.542 8.773 1.00 54.41 C ATOM 39 OG SER A 3 -16.962 -6.372 9.685 1.00 61.32 O ATOM 0 H SER A 3 -18.566 -5.043 7.903 1.00 13.33 H new ATOM 0 HA SER A 3 -16.720 -3.657 9.698 1.00 24.33 H new ATOM 0 HB2 SER A 3 -16.284 -5.987 7.778 1.00 54.41 H new ATOM 0 HB3 SER A 3 -15.212 -5.478 9.068 1.00 54.41 H new ATOM 0 HG SER A 3 -16.555 -7.264 9.696 1.00 61.32 H new ATOM 45 N GLU A 4 -15.896 -2.003 7.957 1.00 35.13 N ATOM 46 CA GLU A 4 -15.158 -1.103 7.047 1.00 11.11 C ATOM 47 C GLU A 4 -13.662 -1.515 6.951 1.00 35.33 C ATOM 48 O GLU A 4 -12.972 -1.160 5.997 1.00 71.13 O ATOM 49 CB GLU A 4 -15.388 0.380 7.484 1.00 53.42 C ATOM 50 CG GLU A 4 -14.934 0.771 8.915 1.00 1.41 C ATOM 51 CD GLU A 4 -13.420 0.999 9.051 1.00 31.14 C ATOM 52 OE1 GLU A 4 -12.732 0.202 9.716 1.00 51.14 O ATOM 53 OE2 GLU A 4 -12.908 1.988 8.484 1.00 21.32 O ATOM 0 H GLU A 4 -16.151 -1.573 8.846 1.00 35.13 H new ATOM 0 HA GLU A 4 -15.543 -1.194 6.031 1.00 11.11 H new ATOM 0 HB2 GLU A 4 -14.869 1.026 6.776 1.00 53.42 H new ATOM 0 HB3 GLU A 4 -16.452 0.598 7.395 1.00 53.42 H new ATOM 0 HG2 GLU A 4 -15.456 1.680 9.215 1.00 1.41 H new ATOM 0 HG3 GLU A 4 -15.236 -0.014 9.608 1.00 1.41 H new ATOM 60 N GLU A 5 -13.196 -2.290 7.960 1.00 42.43 N ATOM 61 CA GLU A 5 -11.892 -3.007 7.934 1.00 20.04 C ATOM 62 C GLU A 5 -11.740 -3.917 6.700 1.00 23.33 C ATOM 63 O GLU A 5 -10.609 -4.190 6.281 1.00 22.14 O ATOM 64 CB GLU A 5 -11.724 -3.858 9.221 1.00 3.40 C ATOM 65 CG GLU A 5 -11.446 -3.046 10.496 1.00 2.33 C ATOM 66 CD GLU A 5 -10.091 -2.311 10.452 1.00 34.52 C ATOM 67 OE1 GLU A 5 -9.041 -2.978 10.579 1.00 41.44 O ATOM 68 OE2 GLU A 5 -10.062 -1.071 10.290 1.00 53.10 O ATOM 0 H GLU A 5 -13.717 -2.438 8.824 1.00 42.43 H new ATOM 0 HA GLU A 5 -11.115 -2.244 7.881 1.00 20.04 H new ATOM 0 HB2 GLU A 5 -12.629 -4.447 9.372 1.00 3.40 H new ATOM 0 HB3 GLU A 5 -10.906 -4.563 9.070 1.00 3.40 H new ATOM 0 HG2 GLU A 5 -12.245 -2.318 10.639 1.00 2.33 H new ATOM 0 HG3 GLU A 5 -11.465 -3.713 11.358 1.00 2.33 H new ATOM 75 N GLU A 6 -12.876 -4.383 6.146 1.00 12.34 N ATOM 76 CA GLU A 6 -12.901 -5.165 4.901 1.00 2.10 C ATOM 77 C GLU A 6 -12.247 -4.376 3.744 1.00 11.01 C ATOM 78 O GLU A 6 -11.527 -4.950 2.920 1.00 2.55 O ATOM 79 CB GLU A 6 -14.361 -5.540 4.545 1.00 34.12 C ATOM 80 CG GLU A 6 -14.537 -6.405 3.281 1.00 54.13 C ATOM 81 CD GLU A 6 -13.772 -7.741 3.349 1.00 3.02 C ATOM 82 OE1 GLU A 6 -14.184 -8.641 4.119 1.00 54.24 O ATOM 83 OE2 GLU A 6 -12.763 -7.908 2.626 1.00 42.14 O ATOM 0 H GLU A 6 -13.799 -4.227 6.550 1.00 12.34 H new ATOM 0 HA GLU A 6 -12.327 -6.079 5.052 1.00 2.10 H new ATOM 0 HB2 GLU A 6 -14.797 -6.071 5.391 1.00 34.12 H new ATOM 0 HB3 GLU A 6 -14.932 -4.621 4.417 1.00 34.12 H new ATOM 0 HG2 GLU A 6 -15.598 -6.608 3.132 1.00 54.13 H new ATOM 0 HG3 GLU A 6 -14.195 -5.842 2.413 1.00 54.13 H new ATOM 90 N GLU A 7 -12.483 -3.045 3.721 1.00 73.32 N ATOM 91 CA GLU A 7 -11.882 -2.148 2.717 1.00 5.24 C ATOM 92 C GLU A 7 -10.363 -2.105 2.858 1.00 13.10 C ATOM 93 O GLU A 7 -9.654 -2.153 1.864 1.00 32.32 O ATOM 94 CB GLU A 7 -12.478 -0.723 2.805 1.00 63.44 C ATOM 95 CG GLU A 7 -14.011 -0.679 2.684 1.00 51.03 C ATOM 96 CD GLU A 7 -14.544 -1.510 1.505 1.00 24.52 C ATOM 97 OE1 GLU A 7 -14.357 -1.095 0.339 1.00 10.12 O ATOM 98 OE2 GLU A 7 -15.140 -2.585 1.736 1.00 73.33 O ATOM 0 H GLU A 7 -13.088 -2.570 4.391 1.00 73.32 H new ATOM 0 HA GLU A 7 -12.122 -2.552 1.733 1.00 5.24 H new ATOM 0 HB2 GLU A 7 -12.186 -0.276 3.755 1.00 63.44 H new ATOM 0 HB3 GLU A 7 -12.043 -0.109 2.016 1.00 63.44 H new ATOM 0 HG2 GLU A 7 -14.454 -1.046 3.610 1.00 51.03 H new ATOM 0 HG3 GLU A 7 -14.331 0.356 2.566 1.00 51.03 H new ATOM 105 N LYS A 8 -9.885 -2.066 4.115 1.00 53.31 N ATOM 106 CA LYS A 8 -8.440 -2.070 4.426 1.00 63.30 C ATOM 107 C LYS A 8 -7.799 -3.375 3.930 1.00 15.12 C ATOM 108 O LYS A 8 -6.731 -3.349 3.343 1.00 34.11 O ATOM 109 CB LYS A 8 -8.176 -1.902 5.955 1.00 35.23 C ATOM 110 CG LYS A 8 -8.356 -0.477 6.519 1.00 41.30 C ATOM 111 CD LYS A 8 -9.777 0.098 6.344 1.00 43.32 C ATOM 112 CE LYS A 8 -9.966 1.406 7.117 1.00 61.41 C ATOM 113 NZ LYS A 8 -9.835 1.194 8.578 1.00 24.42 N ATOM 0 H LYS A 8 -10.483 -2.031 4.940 1.00 53.31 H new ATOM 0 HA LYS A 8 -7.990 -1.220 3.913 1.00 63.30 H new ATOM 0 HB2 LYS A 8 -8.845 -2.572 6.495 1.00 35.23 H new ATOM 0 HB3 LYS A 8 -7.158 -2.229 6.166 1.00 35.23 H new ATOM 0 HG2 LYS A 8 -8.107 -0.484 7.580 1.00 41.30 H new ATOM 0 HG3 LYS A 8 -7.644 0.188 6.030 1.00 41.30 H new ATOM 0 HD2 LYS A 8 -9.970 0.271 5.285 1.00 43.32 H new ATOM 0 HD3 LYS A 8 -10.509 -0.634 6.686 1.00 43.32 H new ATOM 0 HE2 LYS A 8 -9.227 2.136 6.786 1.00 61.41 H new ATOM 0 HE3 LYS A 8 -10.948 1.823 6.895 1.00 61.41 H new ATOM 0 HZ1 LYS A 8 -10.538 1.776 9.078 1.00 24.42 H new ATOM 0 HZ2 LYS A 8 -9.996 0.191 8.799 1.00 24.42 H new ATOM 0 HZ3 LYS A 8 -8.879 1.467 8.884 1.00 24.42 H new ATOM 127 N ARG A 9 -8.502 -4.504 4.154 1.00 51.14 N ATOM 128 CA ARG A 9 -8.067 -5.848 3.706 1.00 41.31 C ATOM 129 C ARG A 9 -7.839 -5.879 2.180 1.00 52.35 C ATOM 130 O ARG A 9 -6.819 -6.401 1.697 1.00 21.21 O ATOM 131 CB ARG A 9 -9.134 -6.900 4.124 1.00 74.33 C ATOM 132 CG ARG A 9 -8.947 -8.309 3.518 1.00 24.21 C ATOM 133 CD ARG A 9 -10.002 -9.312 4.007 1.00 53.52 C ATOM 134 NE ARG A 9 -9.917 -10.588 3.269 1.00 2.22 N ATOM 135 CZ ARG A 9 -10.251 -11.798 3.746 1.00 43.54 C ATOM 136 NH1 ARG A 9 -10.696 -11.955 4.992 1.00 50.30 N ATOM 137 NH2 ARG A 9 -10.151 -12.855 2.955 1.00 24.23 N ATOM 0 H ARG A 9 -9.392 -4.512 4.653 1.00 51.14 H new ATOM 0 HA ARG A 9 -7.117 -6.088 4.183 1.00 41.31 H new ATOM 0 HB2 ARG A 9 -9.128 -6.986 5.211 1.00 74.33 H new ATOM 0 HB3 ARG A 9 -10.118 -6.528 3.839 1.00 74.33 H new ATOM 0 HG2 ARG A 9 -8.993 -8.241 2.431 1.00 24.21 H new ATOM 0 HG3 ARG A 9 -7.954 -8.680 3.772 1.00 24.21 H new ATOM 0 HD2 ARG A 9 -9.864 -9.497 5.072 1.00 53.52 H new ATOM 0 HD3 ARG A 9 -10.997 -8.884 3.884 1.00 53.52 H new ATOM 0 HE ARG A 9 -9.573 -10.547 2.310 1.00 2.22 H new ATOM 0 HH11 ARG A 9 -10.789 -11.146 5.606 1.00 50.30 H new ATOM 0 HH12 ARG A 9 -10.944 -12.884 5.332 1.00 50.30 H new ATOM 0 HH21 ARG A 9 -9.823 -12.745 1.995 1.00 24.23 H new ATOM 0 HH22 ARG A 9 -10.402 -13.780 3.305 1.00 24.23 H new ATOM 151 N GLN A 10 -8.792 -5.274 1.453 1.00 11.31 N ATOM 152 CA GLN A 10 -8.763 -5.191 -0.014 1.00 42.02 C ATOM 153 C GLN A 10 -7.627 -4.260 -0.492 1.00 42.31 C ATOM 154 O GLN A 10 -6.841 -4.638 -1.361 1.00 22.11 O ATOM 155 CB GLN A 10 -10.150 -4.715 -0.542 1.00 42.23 C ATOM 156 CG GLN A 10 -11.311 -5.681 -0.213 1.00 23.24 C ATOM 157 CD GLN A 10 -12.687 -5.102 -0.563 1.00 2.23 C ATOM 158 OE1 GLN A 10 -13.299 -4.395 0.370 1.00 14.30 O flip ATOM 159 NE2 GLN A 10 -13.190 -5.287 -1.669 1.00 72.12 N flip ATOM 0 H GLN A 10 -9.608 -4.827 1.870 1.00 11.31 H new ATOM 0 HA GLN A 10 -8.560 -6.182 -0.421 1.00 42.02 H new ATOM 0 HB2 GLN A 10 -10.373 -3.736 -0.117 1.00 42.23 H new ATOM 0 HB3 GLN A 10 -10.092 -4.587 -1.623 1.00 42.23 H new ATOM 0 HG2 GLN A 10 -11.166 -6.614 -0.758 1.00 23.24 H new ATOM 0 HG3 GLN A 10 -11.284 -5.924 0.849 1.00 23.24 H new ATOM 0 HE21 GLN A 10 -12.693 -5.838 -2.369 1.00 72.12 H new ATOM 0 HE22 GLN A 10 -14.104 -4.890 -1.886 1.00 72.12 H new ATOM 168 N VAL A 11 -7.512 -3.082 0.147 1.00 15.23 N ATOM 169 CA VAL A 11 -6.580 -2.006 -0.259 1.00 74.34 C ATOM 170 C VAL A 11 -5.107 -2.372 0.022 1.00 25.31 C ATOM 171 O VAL A 11 -4.237 -2.128 -0.822 1.00 51.00 O ATOM 172 CB VAL A 11 -6.966 -0.661 0.468 1.00 71.41 C ATOM 173 CG1 VAL A 11 -5.902 0.435 0.293 1.00 54.13 C ATOM 174 CG2 VAL A 11 -8.328 -0.157 -0.032 1.00 52.42 C ATOM 0 H VAL A 11 -8.068 -2.844 0.969 1.00 15.23 H new ATOM 0 HA VAL A 11 -6.674 -1.875 -1.337 1.00 74.34 H new ATOM 0 HB VAL A 11 -7.025 -0.883 1.533 1.00 71.41 H new ATOM 0 HG11 VAL A 11 -6.221 1.338 0.814 1.00 54.13 H new ATOM 0 HG12 VAL A 11 -4.954 0.092 0.708 1.00 54.13 H new ATOM 0 HG13 VAL A 11 -5.776 0.654 -0.767 1.00 54.13 H new ATOM 0 HG21 VAL A 11 -8.582 0.772 0.478 1.00 52.42 H new ATOM 0 HG22 VAL A 11 -8.278 0.021 -1.106 1.00 52.42 H new ATOM 0 HG23 VAL A 11 -9.092 -0.906 0.177 1.00 52.42 H new ATOM 184 N LYS A 12 -4.844 -2.951 1.214 1.00 34.13 N ATOM 185 CA LYS A 12 -3.500 -3.432 1.601 1.00 31.23 C ATOM 186 C LYS A 12 -3.038 -4.534 0.644 1.00 2.31 C ATOM 187 O LYS A 12 -1.852 -4.625 0.340 1.00 35.54 O ATOM 188 CB LYS A 12 -3.483 -3.992 3.048 1.00 71.34 C ATOM 189 CG LYS A 12 -3.739 -2.958 4.161 1.00 61.11 C ATOM 190 CD LYS A 12 -3.738 -3.610 5.569 1.00 22.21 C ATOM 191 CE LYS A 12 -4.852 -4.658 5.759 1.00 14.32 C ATOM 192 NZ LYS A 12 -4.806 -5.272 7.115 1.00 30.52 N ATOM 0 H LYS A 12 -5.554 -3.097 1.932 1.00 34.13 H new ATOM 0 HA LYS A 12 -2.826 -2.577 1.549 1.00 31.23 H new ATOM 0 HB2 LYS A 12 -4.236 -4.777 3.124 1.00 71.34 H new ATOM 0 HB3 LYS A 12 -2.515 -4.460 3.227 1.00 71.34 H new ATOM 0 HG2 LYS A 12 -2.974 -2.183 4.119 1.00 61.11 H new ATOM 0 HG3 LYS A 12 -4.698 -2.469 3.988 1.00 61.11 H new ATOM 0 HD2 LYS A 12 -2.771 -4.083 5.742 1.00 22.21 H new ATOM 0 HD3 LYS A 12 -3.850 -2.830 6.322 1.00 22.21 H new ATOM 0 HE2 LYS A 12 -5.823 -4.188 5.605 1.00 14.32 H new ATOM 0 HE3 LYS A 12 -4.751 -5.437 5.003 1.00 14.32 H new ATOM 0 HZ1 LYS A 12 -5.570 -5.972 7.205 1.00 30.52 H new ATOM 0 HZ2 LYS A 12 -3.888 -5.742 7.252 1.00 30.52 H new ATOM 0 HZ3 LYS A 12 -4.927 -4.532 7.836 1.00 30.52 H new ATOM 206 N GLN A 13 -4.002 -5.373 0.198 1.00 30.24 N ATOM 207 CA GLN A 13 -3.740 -6.443 -0.776 1.00 74.41 C ATOM 208 C GLN A 13 -3.306 -5.842 -2.120 1.00 3.50 C ATOM 209 O GLN A 13 -2.249 -6.184 -2.632 1.00 71.14 O ATOM 210 CB GLN A 13 -4.981 -7.359 -0.967 1.00 63.43 C ATOM 211 CG GLN A 13 -4.759 -8.531 -1.952 1.00 63.01 C ATOM 212 CD GLN A 13 -6.001 -9.394 -2.205 1.00 73.03 C ATOM 213 OE1 GLN A 13 -7.189 -8.794 -2.187 1.00 4.32 O flip ATOM 214 NE2 GLN A 13 -5.891 -10.595 -2.443 1.00 72.44 N flip ATOM 0 H GLN A 13 -4.974 -5.323 0.504 1.00 30.24 H new ATOM 0 HA GLN A 13 -2.932 -7.060 -0.384 1.00 74.41 H new ATOM 0 HB2 GLN A 13 -5.272 -7.764 0.002 1.00 63.43 H new ATOM 0 HB3 GLN A 13 -5.814 -6.753 -1.323 1.00 63.43 H new ATOM 0 HG2 GLN A 13 -4.412 -8.128 -2.904 1.00 63.01 H new ATOM 0 HG3 GLN A 13 -3.963 -9.167 -1.566 1.00 63.01 H new ATOM 0 HE21 GLN A 13 -4.969 -11.031 -2.451 1.00 72.44 H new ATOM 0 HE22 GLN A 13 -6.722 -11.156 -2.633 1.00 72.44 H new ATOM 223 N VAL A 14 -4.116 -4.899 -2.644 1.00 0.32 N ATOM 224 CA VAL A 14 -3.821 -4.192 -3.909 1.00 63.54 C ATOM 225 C VAL A 14 -2.424 -3.526 -3.837 1.00 24.24 C ATOM 226 O VAL A 14 -1.597 -3.694 -4.739 1.00 34.31 O ATOM 227 CB VAL A 14 -4.935 -3.111 -4.233 1.00 12.13 C ATOM 228 CG1 VAL A 14 -4.631 -2.344 -5.538 1.00 63.12 C ATOM 229 CG2 VAL A 14 -6.343 -3.754 -4.302 1.00 2.15 C ATOM 0 H VAL A 14 -4.989 -4.607 -2.205 1.00 0.32 H new ATOM 0 HA VAL A 14 -3.821 -4.925 -4.716 1.00 63.54 H new ATOM 0 HB VAL A 14 -4.924 -2.393 -3.413 1.00 12.13 H new ATOM 0 HG11 VAL A 14 -5.419 -1.614 -5.723 1.00 63.12 H new ATOM 0 HG12 VAL A 14 -3.674 -1.830 -5.444 1.00 63.12 H new ATOM 0 HG13 VAL A 14 -4.585 -3.046 -6.370 1.00 63.12 H new ATOM 0 HG21 VAL A 14 -7.083 -2.986 -4.526 1.00 2.15 H new ATOM 0 HG22 VAL A 14 -6.359 -4.512 -5.085 1.00 2.15 H new ATOM 0 HG23 VAL A 14 -6.579 -4.217 -3.344 1.00 2.15 H new ATOM 239 N ALA A 15 -2.156 -2.876 -2.691 1.00 52.31 N ATOM 240 CA ALA A 15 -0.924 -2.118 -2.428 1.00 22.33 C ATOM 241 C ALA A 15 0.328 -3.018 -2.397 1.00 42.41 C ATOM 242 O ALA A 15 1.352 -2.714 -3.043 1.00 44.23 O ATOM 243 CB ALA A 15 -1.080 -1.372 -1.093 1.00 42.45 C ATOM 0 H ALA A 15 -2.806 -2.864 -1.905 1.00 52.31 H new ATOM 0 HA ALA A 15 -0.777 -1.411 -3.245 1.00 22.33 H new ATOM 0 HB1 ALA A 15 -0.173 -0.805 -0.885 1.00 42.45 H new ATOM 0 HB2 ALA A 15 -1.928 -0.690 -1.154 1.00 42.45 H new ATOM 0 HB3 ALA A 15 -1.250 -2.091 -0.292 1.00 42.45 H new ATOM 249 N LYS A 16 0.223 -4.136 -1.649 1.00 70.11 N ATOM 250 CA LYS A 16 1.344 -5.064 -1.433 1.00 3.04 C ATOM 251 C LYS A 16 1.710 -5.782 -2.725 1.00 23.33 C ATOM 252 O LYS A 16 2.888 -5.986 -2.994 1.00 51.04 O ATOM 253 CB LYS A 16 1.028 -6.080 -0.293 1.00 71.31 C ATOM 254 CG LYS A 16 -0.061 -7.129 -0.601 1.00 51.11 C ATOM 255 CD LYS A 16 -0.435 -8.006 0.622 1.00 21.04 C ATOM 256 CE LYS A 16 0.750 -8.836 1.128 1.00 21.42 C ATOM 257 NZ LYS A 16 1.302 -9.712 0.066 1.00 64.32 N ATOM 0 H LYS A 16 -0.639 -4.417 -1.181 1.00 70.11 H new ATOM 0 HA LYS A 16 2.207 -4.477 -1.118 1.00 3.04 H new ATOM 0 HB2 LYS A 16 1.948 -6.606 -0.037 1.00 71.31 H new ATOM 0 HB3 LYS A 16 0.724 -5.520 0.591 1.00 71.31 H new ATOM 0 HG2 LYS A 16 -0.955 -6.619 -0.960 1.00 51.11 H new ATOM 0 HG3 LYS A 16 0.284 -7.774 -1.409 1.00 51.11 H new ATOM 0 HD2 LYS A 16 -0.798 -7.367 1.427 1.00 21.04 H new ATOM 0 HD3 LYS A 16 -1.253 -8.673 0.351 1.00 21.04 H new ATOM 0 HE2 LYS A 16 1.532 -8.169 1.492 1.00 21.42 H new ATOM 0 HE3 LYS A 16 0.432 -9.446 1.974 1.00 21.42 H new ATOM 0 HZ1 LYS A 16 2.057 -10.306 0.464 1.00 64.32 H new ATOM 0 HZ2 LYS A 16 0.546 -10.319 -0.311 1.00 64.32 H new ATOM 0 HZ3 LYS A 16 1.690 -9.126 -0.700 1.00 64.32 H new ATOM 271 N GLU A 17 0.685 -6.096 -3.550 1.00 51.34 N ATOM 272 CA GLU A 17 0.880 -6.772 -4.837 1.00 63.43 C ATOM 273 C GLU A 17 1.722 -5.917 -5.792 1.00 24.20 C ATOM 274 O GLU A 17 2.595 -6.445 -6.474 1.00 72.22 O ATOM 275 CB GLU A 17 -0.475 -7.133 -5.498 1.00 4.33 C ATOM 276 CG GLU A 17 -1.309 -8.187 -4.744 1.00 54.42 C ATOM 277 CD GLU A 17 -0.531 -9.468 -4.408 1.00 74.14 C ATOM 278 OE1 GLU A 17 -0.269 -10.265 -5.328 1.00 34.12 O ATOM 279 OE2 GLU A 17 -0.209 -9.700 -3.218 1.00 34.32 O ATOM 0 H GLU A 17 -0.290 -5.887 -3.338 1.00 51.34 H new ATOM 0 HA GLU A 17 1.419 -7.697 -4.635 1.00 63.43 H new ATOM 0 HB2 GLU A 17 -1.068 -6.224 -5.595 1.00 4.33 H new ATOM 0 HB3 GLU A 17 -0.284 -7.497 -6.507 1.00 4.33 H new ATOM 0 HG2 GLU A 17 -1.683 -7.747 -3.820 1.00 54.42 H new ATOM 0 HG3 GLU A 17 -2.178 -8.449 -5.347 1.00 54.42 H new ATOM 286 N LYS A 18 1.475 -4.592 -5.798 1.00 23.11 N ATOM 287 CA LYS A 18 2.223 -3.647 -6.648 1.00 11.24 C ATOM 288 C LYS A 18 3.718 -3.599 -6.237 1.00 74.10 C ATOM 289 O LYS A 18 4.615 -3.539 -7.092 1.00 23.41 O ATOM 290 CB LYS A 18 1.619 -2.221 -6.563 1.00 35.43 C ATOM 291 CG LYS A 18 0.089 -2.093 -6.785 1.00 72.30 C ATOM 292 CD LYS A 18 -0.453 -2.782 -8.065 1.00 22.31 C ATOM 293 CE LYS A 18 0.108 -2.183 -9.370 1.00 63.41 C ATOM 294 NZ LYS A 18 -0.252 -0.751 -9.563 1.00 10.23 N ATOM 0 H LYS A 18 0.759 -4.151 -5.220 1.00 23.11 H new ATOM 0 HA LYS A 18 2.146 -4.002 -7.676 1.00 11.24 H new ATOM 0 HB2 LYS A 18 1.855 -1.811 -5.581 1.00 35.43 H new ATOM 0 HB3 LYS A 18 2.122 -1.595 -7.300 1.00 35.43 H new ATOM 0 HG2 LYS A 18 -0.424 -2.514 -5.920 1.00 72.30 H new ATOM 0 HG3 LYS A 18 -0.169 -1.035 -6.824 1.00 72.30 H new ATOM 0 HD2 LYS A 18 -0.209 -3.844 -8.028 1.00 22.31 H new ATOM 0 HD3 LYS A 18 -1.540 -2.705 -8.077 1.00 22.31 H new ATOM 0 HE2 LYS A 18 1.194 -2.281 -9.369 1.00 63.41 H new ATOM 0 HE3 LYS A 18 -0.263 -2.761 -10.216 1.00 63.41 H new ATOM 0 HZ1 LYS A 18 0.140 -0.413 -10.465 1.00 10.23 H new ATOM 0 HZ2 LYS A 18 -1.287 -0.652 -9.577 1.00 10.23 H new ATOM 0 HZ3 LYS A 18 0.139 -0.186 -8.782 1.00 10.23 H new ATOM 308 N LEU A 19 3.953 -3.629 -4.910 1.00 21.41 N ATOM 309 CA LEU A 19 5.307 -3.642 -4.309 1.00 13.45 C ATOM 310 C LEU A 19 6.029 -4.996 -4.510 1.00 71.25 C ATOM 311 O LEU A 19 7.263 -5.036 -4.580 1.00 11.41 O ATOM 312 CB LEU A 19 5.210 -3.288 -2.802 1.00 61.22 C ATOM 313 CG LEU A 19 4.744 -1.835 -2.478 1.00 44.12 C ATOM 314 CD1 LEU A 19 4.678 -1.588 -0.962 1.00 14.05 C ATOM 315 CD2 LEU A 19 5.657 -0.802 -3.156 1.00 51.54 C ATOM 0 H LEU A 19 3.204 -3.645 -4.218 1.00 21.41 H new ATOM 0 HA LEU A 19 5.907 -2.891 -4.822 1.00 13.45 H new ATOM 0 HB2 LEU A 19 4.520 -3.986 -2.327 1.00 61.22 H new ATOM 0 HB3 LEU A 19 6.187 -3.447 -2.347 1.00 61.22 H new ATOM 0 HG LEU A 19 3.737 -1.718 -2.877 1.00 44.12 H new ATOM 0 HD11 LEU A 19 4.350 -0.566 -0.774 1.00 14.05 H new ATOM 0 HD12 LEU A 19 3.972 -2.285 -0.510 1.00 14.05 H new ATOM 0 HD13 LEU A 19 5.665 -1.738 -0.526 1.00 14.05 H new ATOM 0 HD21 LEU A 19 5.311 0.203 -2.915 1.00 51.54 H new ATOM 0 HD22 LEU A 19 6.679 -0.930 -2.799 1.00 51.54 H new ATOM 0 HD23 LEU A 19 5.630 -0.946 -4.236 1.00 51.54 H new ATOM 327 N LEU A 20 5.248 -6.091 -4.595 1.00 34.05 N ATOM 328 CA LEU A 20 5.772 -7.448 -4.881 1.00 23.00 C ATOM 329 C LEU A 20 6.174 -7.563 -6.364 1.00 33.34 C ATOM 330 O LEU A 20 7.126 -8.269 -6.708 1.00 52.14 O ATOM 331 CB LEU A 20 4.725 -8.547 -4.518 1.00 71.34 C ATOM 332 CG LEU A 20 4.404 -8.720 -2.996 1.00 4.21 C ATOM 333 CD1 LEU A 20 3.309 -9.787 -2.769 1.00 73.51 C ATOM 334 CD2 LEU A 20 5.679 -9.043 -2.188 1.00 15.33 C ATOM 0 H LEU A 20 4.236 -6.063 -4.468 1.00 34.05 H new ATOM 0 HA LEU A 20 6.654 -7.606 -4.261 1.00 23.00 H new ATOM 0 HB2 LEU A 20 3.796 -8.321 -5.041 1.00 71.34 H new ATOM 0 HB3 LEU A 20 5.083 -9.502 -4.903 1.00 71.34 H new ATOM 0 HG LEU A 20 4.015 -7.769 -2.632 1.00 4.21 H new ATOM 0 HD11 LEU A 20 3.110 -9.883 -1.702 1.00 73.51 H new ATOM 0 HD12 LEU A 20 2.396 -9.486 -3.283 1.00 73.51 H new ATOM 0 HD13 LEU A 20 3.648 -10.746 -3.162 1.00 73.51 H new ATOM 0 HD21 LEU A 20 5.423 -9.157 -1.135 1.00 15.33 H new ATOM 0 HD22 LEU A 20 6.119 -9.970 -2.557 1.00 15.33 H new ATOM 0 HD23 LEU A 20 6.397 -8.231 -2.301 1.00 15.33 H new ATOM 346 N GLU A 21 5.421 -6.858 -7.228 1.00 25.33 N ATOM 347 CA GLU A 21 5.728 -6.738 -8.670 1.00 52.14 C ATOM 348 C GLU A 21 7.030 -5.946 -8.887 1.00 23.10 C ATOM 349 O GLU A 21 7.751 -6.189 -9.856 1.00 53.21 O ATOM 350 CB GLU A 21 4.544 -6.064 -9.423 1.00 64.02 C ATOM 351 CG GLU A 21 3.262 -6.923 -9.477 1.00 31.24 C ATOM 352 CD GLU A 21 2.108 -6.228 -10.203 1.00 41.31 C ATOM 353 OE1 GLU A 21 1.906 -6.483 -11.411 1.00 24.22 O ATOM 354 OE2 GLU A 21 1.404 -5.411 -9.577 1.00 30.02 O ATOM 0 H GLU A 21 4.580 -6.353 -6.948 1.00 25.33 H new ATOM 0 HA GLU A 21 5.869 -7.740 -9.075 1.00 52.14 H new ATOM 0 HB2 GLU A 21 4.313 -5.115 -8.939 1.00 64.02 H new ATOM 0 HB3 GLU A 21 4.858 -5.835 -10.441 1.00 64.02 H new ATOM 0 HG2 GLU A 21 3.484 -7.866 -9.977 1.00 31.24 H new ATOM 0 HG3 GLU A 21 2.951 -7.166 -8.461 1.00 31.24 H new ATOM 361 N GLN A 22 7.298 -4.990 -7.980 1.00 33.05 N ATOM 362 CA GLN A 22 8.538 -4.191 -7.987 1.00 3.44 C ATOM 363 C GLN A 22 9.731 -4.989 -7.419 1.00 33.52 C ATOM 364 O GLN A 22 10.839 -4.927 -7.970 1.00 12.42 O ATOM 365 CB GLN A 22 8.333 -2.864 -7.204 1.00 21.45 C ATOM 366 CG GLN A 22 7.392 -1.860 -7.903 1.00 31.53 C ATOM 367 CD GLN A 22 7.269 -0.524 -7.165 1.00 15.42 C ATOM 368 OE1 GLN A 22 6.296 -0.419 -6.286 1.00 65.10 O flip ATOM 369 NE2 GLN A 22 8.048 0.402 -7.388 1.00 12.21 N flip ATOM 0 H GLN A 22 6.661 -4.749 -7.221 1.00 33.05 H new ATOM 0 HA GLN A 22 8.774 -3.949 -9.023 1.00 3.44 H new ATOM 0 HB2 GLN A 22 7.932 -3.095 -6.217 1.00 21.45 H new ATOM 0 HB3 GLN A 22 9.303 -2.391 -7.051 1.00 21.45 H new ATOM 0 HG2 GLN A 22 7.756 -1.676 -8.914 1.00 31.53 H new ATOM 0 HG3 GLN A 22 6.402 -2.307 -7.997 1.00 31.53 H new ATOM 0 HE21 GLN A 22 8.792 0.288 -8.076 1.00 12.21 H new ATOM 0 HE22 GLN A 22 7.950 1.284 -6.885 1.00 12.21 H new ATOM 378 N SER A 23 9.493 -5.747 -6.337 1.00 75.44 N ATOM 379 CA SER A 23 10.549 -6.503 -5.646 1.00 50.22 C ATOM 380 C SER A 23 9.981 -7.846 -5.112 1.00 52.44 C ATOM 381 O SER A 23 9.474 -7.910 -3.983 1.00 24.52 O ATOM 382 CB SER A 23 11.175 -5.648 -4.514 1.00 14.40 C ATOM 383 OG SER A 23 12.368 -6.240 -4.026 1.00 71.54 O ATOM 0 H SER A 23 8.569 -5.853 -5.919 1.00 75.44 H new ATOM 0 HA SER A 23 11.345 -6.738 -6.353 1.00 50.22 H new ATOM 0 HB2 SER A 23 11.389 -4.646 -4.887 1.00 14.40 H new ATOM 0 HB3 SER A 23 10.460 -5.539 -3.699 1.00 14.40 H new ATOM 0 HG SER A 23 12.361 -6.229 -3.046 1.00 71.54 H new ATOM 389 N PRO A 24 10.024 -8.936 -5.957 1.00 2.10 N ATOM 390 CA PRO A 24 9.524 -10.288 -5.578 1.00 53.13 C ATOM 391 C PRO A 24 10.471 -11.038 -4.622 1.00 2.44 C ATOM 392 O PRO A 24 10.077 -12.035 -4.008 1.00 21.21 O ATOM 393 CB PRO A 24 9.403 -11.009 -6.943 1.00 3.23 C ATOM 394 CG PRO A 24 10.445 -10.370 -7.808 1.00 54.23 C ATOM 395 CD PRO A 24 10.527 -8.922 -7.364 1.00 11.33 C ATOM 0 HA PRO A 24 8.587 -10.239 -5.024 1.00 53.13 H new ATOM 0 HB2 PRO A 24 9.576 -12.080 -6.841 1.00 3.23 H new ATOM 0 HB3 PRO A 24 8.407 -10.886 -7.368 1.00 3.23 H new ATOM 0 HG2 PRO A 24 11.407 -10.869 -7.692 1.00 54.23 H new ATOM 0 HG3 PRO A 24 10.174 -10.440 -8.861 1.00 54.23 H new ATOM 0 HD2 PRO A 24 11.549 -8.547 -7.417 1.00 11.33 H new ATOM 0 HD3 PRO A 24 9.918 -8.277 -7.997 1.00 11.33 H new ATOM 403 N ASN A 25 11.719 -10.556 -4.527 1.00 65.32 N ATOM 404 CA ASN A 25 12.722 -11.082 -3.584 1.00 63.11 C ATOM 405 C ASN A 25 12.517 -10.476 -2.179 1.00 72.01 C ATOM 406 O ASN A 25 13.094 -10.962 -1.206 1.00 5.01 O ATOM 407 CB ASN A 25 14.154 -10.785 -4.107 1.00 62.51 C ATOM 408 CG ASN A 25 14.510 -11.484 -5.428 1.00 4.33 C ATOM 409 OD1 ASN A 25 15.223 -10.923 -6.266 1.00 1.15 O ATOM 410 ND2 ASN A 25 14.067 -12.722 -5.612 1.00 50.45 N ATOM 0 H ASN A 25 12.064 -9.788 -5.103 1.00 65.32 H new ATOM 0 HA ASN A 25 12.597 -12.162 -3.508 1.00 63.11 H new ATOM 0 HB2 ASN A 25 14.262 -9.709 -4.240 1.00 62.51 H new ATOM 0 HB3 ASN A 25 14.874 -11.086 -3.346 1.00 62.51 H new ATOM 0 HD21 ASN A 25 14.314 -13.231 -6.460 1.00 50.45 H new ATOM 0 HD22 ASN A 25 13.479 -13.164 -4.905 1.00 50.45 H new ATOM 417 N SER A 26 11.708 -9.404 -2.087 1.00 24.04 N ATOM 418 CA SER A 26 11.353 -8.768 -0.807 1.00 24.42 C ATOM 419 C SER A 26 9.984 -9.260 -0.324 1.00 31.42 C ATOM 420 O SER A 26 9.046 -9.399 -1.118 1.00 51.24 O ATOM 421 CB SER A 26 11.323 -7.232 -0.957 1.00 33.21 C ATOM 422 OG SER A 26 12.605 -6.723 -1.279 1.00 22.50 O ATOM 0 H SER A 26 11.283 -8.955 -2.898 1.00 24.04 H new ATOM 0 HA SER A 26 12.110 -9.041 -0.072 1.00 24.42 H new ATOM 0 HB2 SER A 26 10.613 -6.954 -1.735 1.00 33.21 H new ATOM 0 HB3 SER A 26 10.972 -6.780 -0.029 1.00 33.21 H new ATOM 0 HG SER A 26 13.245 -7.463 -1.337 1.00 22.50 H new ATOM 428 N LYS A 27 9.892 -9.538 0.981 1.00 14.04 N ATOM 429 CA LYS A 27 8.616 -9.744 1.660 1.00 74.44 C ATOM 430 C LYS A 27 8.069 -8.365 2.061 1.00 11.25 C ATOM 431 O LYS A 27 8.723 -7.637 2.827 1.00 44.45 O ATOM 432 CB LYS A 27 8.800 -10.645 2.906 1.00 3.22 C ATOM 433 CG LYS A 27 7.501 -10.880 3.714 1.00 62.45 C ATOM 434 CD LYS A 27 7.696 -11.787 4.957 1.00 3.41 C ATOM 435 CE LYS A 27 8.281 -13.167 4.606 1.00 51.04 C ATOM 436 NZ LYS A 27 8.272 -14.094 5.771 1.00 64.54 N ATOM 0 H LYS A 27 10.703 -9.626 1.593 1.00 14.04 H new ATOM 0 HA LYS A 27 7.913 -10.248 0.997 1.00 74.44 H new ATOM 0 HB2 LYS A 27 9.197 -11.609 2.588 1.00 3.22 H new ATOM 0 HB3 LYS A 27 9.546 -10.193 3.561 1.00 3.22 H new ATOM 0 HG2 LYS A 27 7.105 -9.917 4.036 1.00 62.45 H new ATOM 0 HG3 LYS A 27 6.753 -11.330 3.061 1.00 62.45 H new ATOM 0 HD2 LYS A 27 8.357 -11.287 5.665 1.00 3.41 H new ATOM 0 HD3 LYS A 27 6.737 -11.921 5.457 1.00 3.41 H new ATOM 0 HE2 LYS A 27 7.707 -13.606 3.790 1.00 51.04 H new ATOM 0 HE3 LYS A 27 9.303 -13.046 4.248 1.00 51.04 H new ATOM 0 HZ1 LYS A 27 8.675 -15.010 5.489 1.00 64.54 H new ATOM 0 HZ2 LYS A 27 8.841 -13.689 6.542 1.00 64.54 H new ATOM 0 HZ3 LYS A 27 7.294 -14.231 6.098 1.00 64.54 H new ATOM 450 N VAL A 28 6.906 -7.997 1.503 1.00 11.11 N ATOM 451 CA VAL A 28 6.260 -6.709 1.796 1.00 3.40 C ATOM 452 C VAL A 28 5.144 -6.908 2.842 1.00 51.12 C ATOM 453 O VAL A 28 4.133 -7.556 2.569 1.00 53.43 O ATOM 454 CB VAL A 28 5.678 -6.053 0.487 1.00 41.22 C ATOM 455 CG1 VAL A 28 4.994 -4.706 0.804 1.00 74.14 C ATOM 456 CG2 VAL A 28 6.790 -5.877 -0.581 1.00 50.41 C ATOM 0 H VAL A 28 6.391 -8.578 0.842 1.00 11.11 H new ATOM 0 HA VAL A 28 7.012 -6.032 2.201 1.00 3.40 H new ATOM 0 HB VAL A 28 4.922 -6.723 0.078 1.00 41.22 H new ATOM 0 HG11 VAL A 28 4.600 -4.273 -0.115 1.00 74.14 H new ATOM 0 HG12 VAL A 28 4.177 -4.869 1.507 1.00 74.14 H new ATOM 0 HG13 VAL A 28 5.721 -4.024 1.244 1.00 74.14 H new ATOM 0 HG21 VAL A 28 6.366 -5.422 -1.476 1.00 50.41 H new ATOM 0 HG22 VAL A 28 7.576 -5.234 -0.185 1.00 50.41 H new ATOM 0 HG23 VAL A 28 7.210 -6.851 -0.833 1.00 50.41 H new ATOM 466 N GLN A 29 5.358 -6.354 4.038 1.00 21.44 N ATOM 467 CA GLN A 29 4.366 -6.338 5.129 1.00 51.54 C ATOM 468 C GLN A 29 3.636 -4.978 5.121 1.00 0.42 C ATOM 469 O GLN A 29 3.933 -4.139 4.277 1.00 62.03 O ATOM 470 CB GLN A 29 5.102 -6.582 6.474 1.00 53.22 C ATOM 471 CG GLN A 29 5.901 -7.902 6.533 1.00 3.11 C ATOM 472 CD GLN A 29 5.027 -9.157 6.408 1.00 74.32 C ATOM 473 OE1 GLN A 29 4.790 -9.670 5.309 1.00 61.10 O ATOM 474 NE2 GLN A 29 4.538 -9.653 7.532 1.00 33.34 N ATOM 0 H GLN A 29 6.236 -5.896 4.284 1.00 21.44 H new ATOM 0 HA GLN A 29 3.623 -7.124 4.995 1.00 51.54 H new ATOM 0 HB2 GLN A 29 5.783 -5.751 6.658 1.00 53.22 H new ATOM 0 HB3 GLN A 29 4.369 -6.578 7.281 1.00 53.22 H new ATOM 0 HG2 GLN A 29 6.642 -7.904 5.733 1.00 3.11 H new ATOM 0 HG3 GLN A 29 6.449 -7.943 7.475 1.00 3.11 H new ATOM 0 HE21 GLN A 29 4.753 -9.205 8.423 1.00 33.34 H new ATOM 0 HE22 GLN A 29 3.946 -10.483 7.508 1.00 33.34 H new ATOM 483 N VAL A 30 2.657 -4.777 6.020 1.00 43.40 N ATOM 484 CA VAL A 30 1.992 -3.463 6.202 1.00 5.04 C ATOM 485 C VAL A 30 2.482 -2.811 7.513 1.00 4.42 C ATOM 486 O VAL A 30 2.430 -3.428 8.585 1.00 22.14 O ATOM 487 CB VAL A 30 0.416 -3.579 6.177 1.00 21.03 C ATOM 488 CG1 VAL A 30 -0.113 -4.576 7.231 1.00 74.01 C ATOM 489 CG2 VAL A 30 -0.255 -2.189 6.330 1.00 52.52 C ATOM 0 H VAL A 30 2.303 -5.508 6.637 1.00 43.40 H new ATOM 0 HA VAL A 30 2.266 -2.827 5.360 1.00 5.04 H new ATOM 0 HB VAL A 30 0.144 -3.976 5.199 1.00 21.03 H new ATOM 0 HG11 VAL A 30 -1.201 -4.621 7.175 1.00 74.01 H new ATOM 0 HG12 VAL A 30 0.302 -5.565 7.037 1.00 74.01 H new ATOM 0 HG13 VAL A 30 0.186 -4.246 8.226 1.00 74.01 H new ATOM 0 HG21 VAL A 30 -1.339 -2.304 6.309 1.00 52.52 H new ATOM 0 HG22 VAL A 30 0.044 -1.743 7.279 1.00 52.52 H new ATOM 0 HG23 VAL A 30 0.057 -1.542 5.510 1.00 52.52 H new ATOM 499 N ARG A 31 2.987 -1.573 7.412 1.00 51.23 N ATOM 500 CA ARG A 31 3.471 -0.802 8.574 1.00 20.12 C ATOM 501 C ARG A 31 2.274 -0.115 9.264 1.00 53.31 C ATOM 502 O ARG A 31 1.996 -0.355 10.447 1.00 4.42 O ATOM 503 CB ARG A 31 4.532 0.246 8.115 1.00 31.40 C ATOM 504 CG ARG A 31 5.319 0.908 9.268 1.00 23.10 C ATOM 505 CD ARG A 31 6.209 -0.106 10.014 1.00 21.33 C ATOM 506 NE ARG A 31 6.911 0.490 11.154 1.00 23.25 N ATOM 507 CZ ARG A 31 7.916 -0.092 11.824 1.00 43.11 C ATOM 508 NH1 ARG A 31 8.368 -1.301 11.476 1.00 43.24 N ATOM 509 NH2 ARG A 31 8.459 0.540 12.857 1.00 55.33 N ATOM 0 H ARG A 31 3.073 -1.076 6.526 1.00 51.23 H new ATOM 0 HA ARG A 31 3.949 -1.472 9.289 1.00 20.12 H new ATOM 0 HB2 ARG A 31 5.238 -0.241 7.443 1.00 31.40 H new ATOM 0 HB3 ARG A 31 4.030 1.025 7.540 1.00 31.40 H new ATOM 0 HG2 ARG A 31 5.939 1.711 8.870 1.00 23.10 H new ATOM 0 HG3 ARG A 31 4.620 1.363 9.970 1.00 23.10 H new ATOM 0 HD2 ARG A 31 5.594 -0.935 10.364 1.00 21.33 H new ATOM 0 HD3 ARG A 31 6.939 -0.522 9.320 1.00 21.33 H new ATOM 0 HE ARG A 31 6.613 1.416 11.460 1.00 23.25 H new ATOM 0 HH11 ARG A 31 7.947 -1.796 10.689 1.00 43.24 H new ATOM 0 HH12 ARG A 31 9.134 -1.729 11.997 1.00 43.24 H new ATOM 0 HH21 ARG A 31 8.111 1.458 13.133 1.00 55.33 H new ATOM 0 HH22 ARG A 31 9.224 0.108 13.375 1.00 55.33 H new ATOM 523 N ARG A 32 1.565 0.731 8.493 1.00 20.43 N ATOM 524 CA ARG A 32 0.343 1.439 8.932 1.00 20.03 C ATOM 525 C ARG A 32 -0.622 1.593 7.746 1.00 70.11 C ATOM 526 O ARG A 32 -0.247 1.388 6.588 1.00 32.44 O ATOM 527 CB ARG A 32 0.668 2.849 9.522 1.00 24.44 C ATOM 528 CG ARG A 32 1.312 2.844 10.929 1.00 32.21 C ATOM 529 CD ARG A 32 1.656 4.258 11.426 1.00 25.01 C ATOM 530 NE ARG A 32 2.611 4.921 10.526 1.00 24.23 N ATOM 531 CZ ARG A 32 3.672 5.655 10.885 1.00 74.14 C ATOM 532 NH1 ARG A 32 3.981 5.880 12.162 1.00 33.52 N ATOM 533 NH2 ARG A 32 4.411 6.188 9.931 1.00 31.42 N ATOM 0 H ARG A 32 1.828 0.947 7.531 1.00 20.43 H new ATOM 0 HA ARG A 32 -0.119 0.843 9.719 1.00 20.03 H new ATOM 0 HB2 ARG A 32 1.338 3.366 8.835 1.00 24.44 H new ATOM 0 HB3 ARG A 32 -0.254 3.428 9.565 1.00 24.44 H new ATOM 0 HG2 ARG A 32 0.630 2.370 11.635 1.00 32.21 H new ATOM 0 HG3 ARG A 32 2.219 2.240 10.907 1.00 32.21 H new ATOM 0 HD2 ARG A 32 0.745 4.853 11.496 1.00 25.01 H new ATOM 0 HD3 ARG A 32 2.078 4.201 12.430 1.00 25.01 H new ATOM 0 HE ARG A 32 2.449 4.811 9.525 1.00 24.23 H new ATOM 0 HH11 ARG A 32 3.401 5.488 12.904 1.00 33.52 H new ATOM 0 HH12 ARG A 32 4.797 6.444 12.397 1.00 33.52 H new ATOM 0 HH21 ARG A 32 4.168 6.036 8.952 1.00 31.42 H new ATOM 0 HH22 ARG A 32 5.226 6.752 10.172 1.00 31.42 H new ATOM 547 N VAL A 33 -1.872 1.956 8.068 1.00 42.44 N ATOM 548 CA VAL A 33 -2.937 2.243 7.092 1.00 25.42 C ATOM 549 C VAL A 33 -3.558 3.595 7.474 1.00 25.31 C ATOM 550 O VAL A 33 -4.189 3.703 8.526 1.00 3.14 O ATOM 551 CB VAL A 33 -4.062 1.127 7.099 1.00 34.02 C ATOM 552 CG1 VAL A 33 -5.165 1.407 6.056 1.00 43.50 C ATOM 553 CG2 VAL A 33 -3.455 -0.267 6.883 1.00 33.05 C ATOM 0 H VAL A 33 -2.179 2.061 9.035 1.00 42.44 H new ATOM 0 HA VAL A 33 -2.509 2.264 6.090 1.00 25.42 H new ATOM 0 HB VAL A 33 -4.530 1.153 8.083 1.00 34.02 H new ATOM 0 HG11 VAL A 33 -5.914 0.616 6.097 1.00 43.50 H new ATOM 0 HG12 VAL A 33 -5.637 2.365 6.274 1.00 43.50 H new ATOM 0 HG13 VAL A 33 -4.724 1.438 5.060 1.00 43.50 H new ATOM 0 HG21 VAL A 33 -4.248 -1.015 6.892 1.00 33.05 H new ATOM 0 HG22 VAL A 33 -2.941 -0.295 5.922 1.00 33.05 H new ATOM 0 HG23 VAL A 33 -2.744 -0.482 7.681 1.00 33.05 H new ATOM 563 N GLN A 34 -3.359 4.633 6.652 1.00 42.31 N ATOM 564 CA GLN A 34 -3.873 5.981 6.950 1.00 65.44 C ATOM 565 C GLN A 34 -5.056 6.313 6.028 1.00 61.11 C ATOM 566 O GLN A 34 -4.873 6.495 4.831 1.00 1.45 O ATOM 567 CB GLN A 34 -2.754 7.050 6.780 1.00 12.05 C ATOM 568 CG GLN A 34 -3.167 8.471 7.223 1.00 53.15 C ATOM 569 CD GLN A 34 -3.450 8.570 8.726 1.00 4.00 C ATOM 570 OE1 GLN A 34 -2.550 8.845 9.516 1.00 62.13 O ATOM 571 NE2 GLN A 34 -4.689 8.329 9.134 1.00 72.01 N ATOM 0 H GLN A 34 -2.845 4.568 5.773 1.00 42.31 H new ATOM 0 HA GLN A 34 -4.211 5.995 7.986 1.00 65.44 H new ATOM 0 HB2 GLN A 34 -1.881 6.741 7.355 1.00 12.05 H new ATOM 0 HB3 GLN A 34 -2.452 7.081 5.733 1.00 12.05 H new ATOM 0 HG2 GLN A 34 -2.375 9.172 6.961 1.00 53.15 H new ATOM 0 HG3 GLN A 34 -4.056 8.774 6.670 1.00 53.15 H new ATOM 0 HE21 GLN A 34 -5.415 8.103 8.454 1.00 72.01 H new ATOM 0 HE22 GLN A 34 -4.916 8.369 10.128 1.00 72.01 H new ATOM 580 N LYS A 35 -6.269 6.373 6.588 1.00 65.32 N ATOM 581 CA LYS A 35 -7.441 6.882 5.867 1.00 4.51 C ATOM 582 C LYS A 35 -7.383 8.417 5.858 1.00 1.45 C ATOM 583 O LYS A 35 -7.045 9.039 6.872 1.00 35.10 O ATOM 584 CB LYS A 35 -8.750 6.373 6.523 1.00 63.34 C ATOM 585 CG LYS A 35 -10.052 6.778 5.791 1.00 4.44 C ATOM 586 CD LYS A 35 -10.096 6.259 4.339 1.00 32.11 C ATOM 587 CE LYS A 35 -11.398 6.595 3.604 1.00 5.35 C ATOM 588 NZ LYS A 35 -12.595 5.966 4.219 1.00 2.45 N ATOM 0 H LYS A 35 -6.465 6.074 7.543 1.00 65.32 H new ATOM 0 HA LYS A 35 -7.432 6.516 4.840 1.00 4.51 H new ATOM 0 HB2 LYS A 35 -8.709 5.285 6.583 1.00 63.34 H new ATOM 0 HB3 LYS A 35 -8.795 6.747 7.546 1.00 63.34 H new ATOM 0 HG2 LYS A 35 -10.910 6.389 6.339 1.00 4.44 H new ATOM 0 HG3 LYS A 35 -10.141 7.864 5.789 1.00 4.44 H new ATOM 0 HD2 LYS A 35 -9.257 6.682 3.786 1.00 32.11 H new ATOM 0 HD3 LYS A 35 -9.961 5.177 4.345 1.00 32.11 H new ATOM 0 HE2 LYS A 35 -11.531 7.677 3.589 1.00 5.35 H new ATOM 0 HE3 LYS A 35 -11.317 6.270 2.567 1.00 5.35 H new ATOM 0 HZ1 LYS A 35 -13.430 6.160 3.630 1.00 2.45 H new ATOM 0 HZ2 LYS A 35 -12.451 4.938 4.287 1.00 2.45 H new ATOM 0 HZ3 LYS A 35 -12.743 6.359 5.171 1.00 2.45 H new ATOM 602 N GLN A 36 -7.692 9.011 4.702 1.00 32.25 N ATOM 603 CA GLN A 36 -7.638 10.462 4.501 1.00 34.40 C ATOM 604 C GLN A 36 -8.796 10.872 3.581 1.00 32.51 C ATOM 605 O GLN A 36 -8.633 10.969 2.354 1.00 32.21 O ATOM 606 CB GLN A 36 -6.249 10.868 3.914 1.00 33.01 C ATOM 607 CG GLN A 36 -5.966 12.383 3.919 1.00 25.44 C ATOM 608 CD GLN A 36 -5.910 12.975 5.337 1.00 10.33 C ATOM 609 OE1 GLN A 36 -6.918 13.421 5.891 1.00 63.13 O ATOM 610 NE2 GLN A 36 -4.735 12.977 5.937 1.00 22.42 N ATOM 0 H GLN A 36 -7.989 8.495 3.874 1.00 32.25 H new ATOM 0 HA GLN A 36 -7.749 10.986 5.450 1.00 34.40 H new ATOM 0 HB2 GLN A 36 -5.468 10.364 4.483 1.00 33.01 H new ATOM 0 HB3 GLN A 36 -6.182 10.503 2.889 1.00 33.01 H new ATOM 0 HG2 GLN A 36 -5.019 12.573 3.414 1.00 25.44 H new ATOM 0 HG3 GLN A 36 -6.740 12.894 3.347 1.00 25.44 H new ATOM 0 HE21 GLN A 36 -3.917 12.602 5.457 1.00 22.42 H new ATOM 0 HE22 GLN A 36 -4.645 13.353 6.881 1.00 22.42 H new ATOM 619 N GLY A 37 -9.988 11.038 4.189 1.00 2.05 N ATOM 620 CA GLY A 37 -11.209 11.390 3.463 1.00 41.23 C ATOM 621 C GLY A 37 -11.767 10.220 2.651 1.00 45.22 C ATOM 622 O GLY A 37 -12.723 9.562 3.072 1.00 30.34 O ATOM 0 H GLY A 37 -10.123 10.931 5.194 1.00 2.05 H new ATOM 0 HA2 GLY A 37 -11.964 11.729 4.172 1.00 41.23 H new ATOM 0 HA3 GLY A 37 -11.002 12.226 2.795 1.00 41.23 H new ATOM 626 N ASN A 38 -11.153 9.974 1.470 1.00 2.51 N ATOM 627 CA ASN A 38 -11.469 8.817 0.591 1.00 35.14 C ATOM 628 C ASN A 38 -10.178 8.095 0.140 1.00 1.34 C ATOM 629 O ASN A 38 -10.248 6.946 -0.310 1.00 11.32 O ATOM 630 CB ASN A 38 -12.301 9.263 -0.652 1.00 42.01 C ATOM 631 CG ASN A 38 -13.761 9.607 -0.324 1.00 12.32 C ATOM 632 OD1 ASN A 38 -14.651 8.756 -0.416 1.00 72.01 O ATOM 633 ND2 ASN A 38 -14.019 10.843 0.064 1.00 25.42 N ATOM 0 H ASN A 38 -10.419 10.575 1.095 1.00 2.51 H new ATOM 0 HA ASN A 38 -12.071 8.119 1.172 1.00 35.14 H new ATOM 0 HB2 ASN A 38 -11.825 10.133 -1.104 1.00 42.01 H new ATOM 0 HB3 ASN A 38 -12.283 8.466 -1.396 1.00 42.01 H new ATOM 0 HD21 ASN A 38 -14.974 11.116 0.297 1.00 25.42 H new ATOM 0 HD22 ASN A 38 -13.263 11.525 0.131 1.00 25.42 H new ATOM 640 N THR A 39 -9.014 8.768 0.246 1.00 12.13 N ATOM 641 CA THR A 39 -7.713 8.171 -0.102 1.00 75.10 C ATOM 642 C THR A 39 -7.160 7.389 1.097 1.00 73.34 C ATOM 643 O THR A 39 -6.909 7.980 2.154 1.00 32.10 O ATOM 644 CB THR A 39 -6.662 9.264 -0.516 1.00 62.24 C ATOM 645 OG1 THR A 39 -7.260 10.214 -1.414 1.00 55.54 O ATOM 646 CG2 THR A 39 -5.408 8.648 -1.180 1.00 24.50 C ATOM 0 H THR A 39 -8.951 9.732 0.573 1.00 12.13 H new ATOM 0 HA THR A 39 -7.877 7.506 -0.950 1.00 75.10 H new ATOM 0 HB THR A 39 -6.345 9.765 0.399 1.00 62.24 H new ATOM 0 HG1 THR A 39 -7.349 9.812 -2.303 1.00 55.54 H new ATOM 0 HG21 THR A 39 -4.711 9.442 -1.448 1.00 24.50 H new ATOM 0 HG22 THR A 39 -4.926 7.963 -0.482 1.00 24.50 H new ATOM 0 HG23 THR A 39 -5.702 8.104 -2.078 1.00 24.50 H new ATOM 654 N ILE A 40 -6.998 6.069 0.952 1.00 3.33 N ATOM 655 CA ILE A 40 -6.276 5.265 1.942 1.00 45.42 C ATOM 656 C ILE A 40 -4.788 5.201 1.547 1.00 61.13 C ATOM 657 O ILE A 40 -4.416 4.518 0.596 1.00 50.11 O ATOM 658 CB ILE A 40 -6.847 3.807 2.072 1.00 13.42 C ATOM 659 CG1 ILE A 40 -8.361 3.825 2.417 1.00 10.31 C ATOM 660 CG2 ILE A 40 -6.060 3.018 3.139 1.00 50.11 C ATOM 661 CD1 ILE A 40 -8.973 2.459 2.689 1.00 4.45 C ATOM 0 H ILE A 40 -7.357 5.536 0.160 1.00 3.33 H new ATOM 0 HA ILE A 40 -6.401 5.746 2.912 1.00 45.42 H new ATOM 0 HB ILE A 40 -6.729 3.311 1.109 1.00 13.42 H new ATOM 0 HG12 ILE A 40 -8.511 4.455 3.294 1.00 10.31 H new ATOM 0 HG13 ILE A 40 -8.901 4.291 1.593 1.00 10.31 H new ATOM 0 HG21 ILE A 40 -6.466 2.010 3.219 1.00 50.11 H new ATOM 0 HG22 ILE A 40 -5.010 2.965 2.851 1.00 50.11 H new ATOM 0 HG23 ILE A 40 -6.147 3.522 4.102 1.00 50.11 H new ATOM 0 HD11 ILE A 40 -10.032 2.574 2.920 1.00 4.45 H new ATOM 0 HD12 ILE A 40 -8.861 1.828 1.807 1.00 4.45 H new ATOM 0 HD13 ILE A 40 -8.465 1.995 3.534 1.00 4.45 H new ATOM 673 N ARG A 41 -3.966 5.933 2.290 1.00 42.44 N ATOM 674 CA ARG A 41 -2.513 5.939 2.133 1.00 24.22 C ATOM 675 C ARG A 41 -1.932 4.830 3.023 1.00 71.50 C ATOM 676 O ARG A 41 -1.730 5.035 4.224 1.00 74.22 O ATOM 677 CB ARG A 41 -1.963 7.332 2.556 1.00 12.44 C ATOM 678 CG ARG A 41 -2.783 8.525 2.024 1.00 31.44 C ATOM 679 CD ARG A 41 -2.184 9.886 2.428 1.00 32.32 C ATOM 680 NE ARG A 41 -0.999 10.211 1.623 1.00 51.10 N ATOM 681 CZ ARG A 41 0.165 10.707 2.075 1.00 54.10 C ATOM 682 NH1 ARG A 41 0.361 10.969 3.357 1.00 65.43 N ATOM 683 NH2 ARG A 41 1.140 10.925 1.216 1.00 74.10 N ATOM 0 H ARG A 41 -4.295 6.551 3.032 1.00 42.44 H new ATOM 0 HA ARG A 41 -2.229 5.756 1.097 1.00 24.22 H new ATOM 0 HB2 ARG A 41 -1.933 7.383 3.644 1.00 12.44 H new ATOM 0 HB3 ARG A 41 -0.936 7.426 2.204 1.00 12.44 H new ATOM 0 HG2 ARG A 41 -2.839 8.466 0.937 1.00 31.44 H new ATOM 0 HG3 ARG A 41 -3.804 8.456 2.400 1.00 31.44 H new ATOM 0 HD2 ARG A 41 -2.935 10.667 2.304 1.00 32.32 H new ATOM 0 HD3 ARG A 41 -1.914 9.867 3.484 1.00 32.32 H new ATOM 0 HE ARG A 41 -1.067 10.043 0.619 1.00 51.10 H new ATOM 0 HH11 ARG A 41 -0.383 10.795 4.033 1.00 65.43 H new ATOM 0 HH12 ARG A 41 1.256 11.345 3.670 1.00 65.43 H new ATOM 0 HH21 ARG A 41 1.004 10.718 0.227 1.00 74.10 H new ATOM 0 HH22 ARG A 41 2.031 11.301 1.540 1.00 74.10 H new ATOM 697 N VAL A 42 -1.714 3.647 2.440 1.00 23.51 N ATOM 698 CA VAL A 42 -1.176 2.488 3.174 1.00 35.43 C ATOM 699 C VAL A 42 0.346 2.564 3.173 1.00 62.12 C ATOM 700 O VAL A 42 0.963 2.509 2.119 1.00 72.31 O ATOM 701 CB VAL A 42 -1.630 1.111 2.550 1.00 22.12 C ATOM 702 CG1 VAL A 42 -1.163 -0.092 3.406 1.00 30.12 C ATOM 703 CG2 VAL A 42 -3.148 1.072 2.367 1.00 52.13 C ATOM 0 H VAL A 42 -1.902 3.462 1.455 1.00 23.51 H new ATOM 0 HA VAL A 42 -1.569 2.529 4.190 1.00 35.43 H new ATOM 0 HB VAL A 42 -1.154 1.028 1.573 1.00 22.12 H new ATOM 0 HG11 VAL A 42 -1.496 -1.020 2.942 1.00 30.12 H new ATOM 0 HG12 VAL A 42 -0.075 -0.090 3.473 1.00 30.12 H new ATOM 0 HG13 VAL A 42 -1.589 -0.014 4.406 1.00 30.12 H new ATOM 0 HG21 VAL A 42 -3.438 0.114 1.936 1.00 52.13 H new ATOM 0 HG22 VAL A 42 -3.634 1.196 3.334 1.00 52.13 H new ATOM 0 HG23 VAL A 42 -3.455 1.878 1.700 1.00 52.13 H new ATOM 713 N GLU A 43 0.937 2.744 4.350 1.00 43.35 N ATOM 714 CA GLU A 43 2.391 2.672 4.532 1.00 32.43 C ATOM 715 C GLU A 43 2.774 1.198 4.715 1.00 24.12 C ATOM 716 O GLU A 43 2.408 0.591 5.711 1.00 54.30 O ATOM 717 CB GLU A 43 2.813 3.511 5.766 1.00 2.40 C ATOM 718 CG GLU A 43 2.426 4.996 5.661 1.00 73.24 C ATOM 719 CD GLU A 43 2.836 5.801 6.897 1.00 31.35 C ATOM 720 OE1 GLU A 43 2.022 5.917 7.834 1.00 52.30 O ATOM 721 OE2 GLU A 43 3.981 6.307 6.949 1.00 1.24 O ATOM 0 H GLU A 43 0.424 2.944 5.209 1.00 43.35 H new ATOM 0 HA GLU A 43 2.907 3.080 3.663 1.00 32.43 H new ATOM 0 HB2 GLU A 43 2.353 3.086 6.658 1.00 2.40 H new ATOM 0 HB3 GLU A 43 3.892 3.434 5.896 1.00 2.40 H new ATOM 0 HG2 GLU A 43 2.896 5.429 4.778 1.00 73.24 H new ATOM 0 HG3 GLU A 43 1.348 5.078 5.520 1.00 73.24 H new ATOM 728 N LEU A 44 3.443 0.608 3.722 1.00 21.45 N ATOM 729 CA LEU A 44 3.911 -0.793 3.788 1.00 5.44 C ATOM 730 C LEU A 44 5.413 -0.837 4.048 1.00 11.23 C ATOM 731 O LEU A 44 6.084 0.187 3.979 1.00 50.13 O ATOM 732 CB LEU A 44 3.562 -1.568 2.498 1.00 1.45 C ATOM 733 CG LEU A 44 2.041 -1.578 2.105 1.00 42.41 C ATOM 734 CD1 LEU A 44 1.694 -0.398 1.189 1.00 12.31 C ATOM 735 CD2 LEU A 44 1.616 -2.909 1.474 1.00 1.32 C ATOM 0 H LEU A 44 3.679 1.080 2.849 1.00 21.45 H new ATOM 0 HA LEU A 44 3.395 -1.280 4.615 1.00 5.44 H new ATOM 0 HB2 LEU A 44 4.130 -1.139 1.672 1.00 1.45 H new ATOM 0 HB3 LEU A 44 3.896 -2.599 2.613 1.00 1.45 H new ATOM 0 HG LEU A 44 1.475 -1.465 3.030 1.00 42.41 H new ATOM 0 HD11 LEU A 44 0.635 -0.434 0.935 1.00 12.31 H new ATOM 0 HD12 LEU A 44 1.913 0.538 1.703 1.00 12.31 H new ATOM 0 HD13 LEU A 44 2.288 -0.459 0.277 1.00 12.31 H new ATOM 0 HD21 LEU A 44 0.557 -2.869 1.219 1.00 1.32 H new ATOM 0 HD22 LEU A 44 2.200 -3.087 0.571 1.00 1.32 H new ATOM 0 HD23 LEU A 44 1.788 -3.719 2.183 1.00 1.32 H new ATOM 747 N GLU A 45 5.918 -2.037 4.354 1.00 52.40 N ATOM 748 CA GLU A 45 7.315 -2.270 4.736 1.00 41.22 C ATOM 749 C GLU A 45 7.952 -3.270 3.744 1.00 13.34 C ATOM 750 O GLU A 45 7.663 -4.464 3.784 1.00 12.40 O ATOM 751 CB GLU A 45 7.316 -2.801 6.196 1.00 75.44 C ATOM 752 CG GLU A 45 8.707 -2.935 6.853 1.00 74.23 C ATOM 753 CD GLU A 45 8.662 -3.291 8.352 1.00 32.11 C ATOM 754 OE1 GLU A 45 9.575 -3.982 8.841 1.00 34.25 O ATOM 755 OE2 GLU A 45 7.720 -2.876 9.052 1.00 21.44 O ATOM 0 H GLU A 45 5.357 -2.889 4.343 1.00 52.40 H new ATOM 0 HA GLU A 45 7.909 -1.357 4.695 1.00 41.22 H new ATOM 0 HB2 GLU A 45 6.707 -2.134 6.807 1.00 75.44 H new ATOM 0 HB3 GLU A 45 6.831 -3.777 6.210 1.00 75.44 H new ATOM 0 HG2 GLU A 45 9.274 -3.702 6.325 1.00 74.23 H new ATOM 0 HG3 GLU A 45 9.248 -1.997 6.729 1.00 74.23 H new ATOM 762 N LEU A 46 8.807 -2.751 2.841 1.00 22.34 N ATOM 763 CA LEU A 46 9.475 -3.543 1.785 1.00 63.21 C ATOM 764 C LEU A 46 10.922 -3.828 2.242 1.00 21.21 C ATOM 765 O LEU A 46 11.740 -2.906 2.333 1.00 43.32 O ATOM 766 CB LEU A 46 9.407 -2.748 0.434 1.00 0.52 C ATOM 767 CG LEU A 46 9.844 -3.497 -0.885 1.00 13.34 C ATOM 768 CD1 LEU A 46 9.164 -2.888 -2.136 1.00 74.24 C ATOM 769 CD2 LEU A 46 11.378 -3.485 -1.074 1.00 55.32 C ATOM 0 H LEU A 46 9.057 -1.762 2.822 1.00 22.34 H new ATOM 0 HA LEU A 46 8.981 -4.500 1.619 1.00 63.21 H new ATOM 0 HB2 LEU A 46 8.382 -2.404 0.299 1.00 0.52 H new ATOM 0 HB3 LEU A 46 10.030 -1.860 0.537 1.00 0.52 H new ATOM 0 HG LEU A 46 9.517 -4.531 -0.773 1.00 13.34 H new ATOM 0 HD11 LEU A 46 9.488 -3.428 -3.026 1.00 74.24 H new ATOM 0 HD12 LEU A 46 8.081 -2.968 -2.037 1.00 74.24 H new ATOM 0 HD13 LEU A 46 9.443 -1.838 -2.227 1.00 74.24 H new ATOM 0 HD21 LEU A 46 11.635 -4.011 -1.993 1.00 55.32 H new ATOM 0 HD22 LEU A 46 11.729 -2.455 -1.135 1.00 55.32 H new ATOM 0 HD23 LEU A 46 11.853 -3.981 -0.227 1.00 55.32 H new ATOM 781 N ARG A 47 11.226 -5.101 2.556 1.00 61.23 N ATOM 782 CA ARG A 47 12.539 -5.497 3.108 1.00 74.53 C ATOM 783 C ARG A 47 13.408 -6.168 2.026 1.00 23.30 C ATOM 784 O ARG A 47 13.207 -7.344 1.705 1.00 4.00 O ATOM 785 CB ARG A 47 12.342 -6.466 4.301 1.00 54.20 C ATOM 786 CG ARG A 47 11.405 -5.948 5.409 1.00 43.13 C ATOM 787 CD ARG A 47 11.153 -7.014 6.482 1.00 3.12 C ATOM 788 NE ARG A 47 10.203 -6.563 7.503 1.00 34.30 N ATOM 789 CZ ARG A 47 9.294 -7.339 8.109 1.00 45.14 C ATOM 790 NH1 ARG A 47 9.192 -8.636 7.815 1.00 13.20 N ATOM 791 NH2 ARG A 47 8.491 -6.807 9.011 1.00 52.50 N ATOM 0 H ARG A 47 10.577 -5.879 2.437 1.00 61.23 H new ATOM 0 HA ARG A 47 13.051 -4.599 3.454 1.00 74.53 H new ATOM 0 HB2 ARG A 47 11.947 -7.409 3.923 1.00 54.20 H new ATOM 0 HB3 ARG A 47 13.316 -6.681 4.740 1.00 54.20 H new ATOM 0 HG2 ARG A 47 11.842 -5.063 5.871 1.00 43.13 H new ATOM 0 HG3 ARG A 47 10.456 -5.642 4.969 1.00 43.13 H new ATOM 0 HD2 ARG A 47 10.772 -7.919 6.009 1.00 3.12 H new ATOM 0 HD3 ARG A 47 12.097 -7.277 6.959 1.00 3.12 H new ATOM 0 HE ARG A 47 10.236 -5.580 7.774 1.00 34.30 H new ATOM 0 HH11 ARG A 47 9.812 -9.052 7.119 1.00 13.20 H new ATOM 0 HH12 ARG A 47 8.494 -9.212 8.286 1.00 13.20 H new ATOM 0 HH21 ARG A 47 8.566 -5.816 9.240 1.00 52.50 H new ATOM 0 HH22 ARG A 47 7.795 -7.387 9.479 1.00 52.50 H new ATOM 805 N THR A 48 14.358 -5.410 1.461 1.00 21.30 N ATOM 806 CA THR A 48 15.326 -5.916 0.474 1.00 52.53 C ATOM 807 C THR A 48 16.600 -6.438 1.172 1.00 55.52 C ATOM 808 O THR A 48 17.463 -5.650 1.584 1.00 12.44 O ATOM 809 CB THR A 48 15.688 -4.796 -0.555 1.00 43.05 C ATOM 810 OG1 THR A 48 14.487 -4.344 -1.196 1.00 51.50 O ATOM 811 CG2 THR A 48 16.684 -5.278 -1.628 1.00 62.12 C ATOM 0 H THR A 48 14.478 -4.420 1.677 1.00 21.30 H new ATOM 0 HA THR A 48 14.866 -6.747 -0.061 1.00 52.53 H new ATOM 0 HB THR A 48 16.167 -3.986 -0.005 1.00 43.05 H new ATOM 0 HG1 THR A 48 13.846 -5.083 -1.247 1.00 51.50 H new ATOM 0 HG21 THR A 48 16.901 -4.461 -2.316 1.00 62.12 H new ATOM 0 HG22 THR A 48 17.607 -5.603 -1.148 1.00 62.12 H new ATOM 0 HG23 THR A 48 16.249 -6.112 -2.180 1.00 62.12 H new ATOM 819 N ASN A 49 16.671 -7.778 1.327 1.00 4.31 N ATOM 820 CA ASN A 49 17.842 -8.501 1.890 1.00 51.53 C ATOM 821 C ASN A 49 18.193 -8.015 3.319 1.00 71.12 C ATOM 822 O ASN A 49 19.368 -7.929 3.696 1.00 64.40 O ATOM 823 CB ASN A 49 19.058 -8.415 0.911 1.00 53.34 C ATOM 824 CG ASN A 49 18.781 -9.103 -0.432 1.00 61.24 C ATOM 825 OD1 ASN A 49 18.296 -8.483 -1.377 1.00 14.11 O ATOM 826 ND2 ASN A 49 19.066 -10.397 -0.519 1.00 62.51 N ATOM 0 H ASN A 49 15.908 -8.401 1.062 1.00 4.31 H new ATOM 0 HA ASN A 49 17.575 -9.553 1.992 1.00 51.53 H new ATOM 0 HB2 ASN A 49 19.305 -7.368 0.735 1.00 53.34 H new ATOM 0 HB3 ASN A 49 19.929 -8.874 1.378 1.00 53.34 H new ATOM 0 HD21 ASN A 49 18.883 -10.902 -1.386 1.00 62.51 H new ATOM 0 HD22 ASN A 49 19.468 -10.886 0.281 1.00 62.51 H new ATOM 833 N GLY A 50 17.135 -7.724 4.107 1.00 3.14 N ATOM 834 CA GLY A 50 17.271 -7.247 5.486 1.00 53.23 C ATOM 835 C GLY A 50 17.151 -5.736 5.615 1.00 14.14 C ATOM 836 O GLY A 50 16.920 -5.233 6.715 1.00 75.35 O ATOM 0 H GLY A 50 16.167 -7.816 3.798 1.00 3.14 H new ATOM 0 HA2 GLY A 50 16.507 -7.719 6.103 1.00 53.23 H new ATOM 0 HA3 GLY A 50 18.238 -7.563 5.879 1.00 53.23 H new ATOM 840 N LYS A 51 17.298 -5.001 4.497 1.00 75.12 N ATOM 841 CA LYS A 51 17.131 -3.534 4.482 1.00 30.30 C ATOM 842 C LYS A 51 15.640 -3.150 4.403 1.00 54.40 C ATOM 843 O LYS A 51 14.951 -3.522 3.460 1.00 5.01 O ATOM 844 CB LYS A 51 17.900 -2.918 3.280 1.00 43.34 C ATOM 845 CG LYS A 51 19.437 -2.975 3.409 1.00 14.01 C ATOM 846 CD LYS A 51 19.982 -2.119 4.579 1.00 70.24 C ATOM 847 CE LYS A 51 19.608 -0.629 4.445 1.00 74.53 C ATOM 848 NZ LYS A 51 20.117 0.172 5.589 1.00 23.32 N ATOM 0 H LYS A 51 17.533 -5.400 3.588 1.00 75.12 H new ATOM 0 HA LYS A 51 17.541 -3.137 5.411 1.00 30.30 H new ATOM 0 HB2 LYS A 51 17.604 -3.440 2.370 1.00 43.34 H new ATOM 0 HB3 LYS A 51 17.596 -1.878 3.164 1.00 43.34 H new ATOM 0 HG2 LYS A 51 19.745 -4.011 3.551 1.00 14.01 H new ATOM 0 HG3 LYS A 51 19.887 -2.633 2.477 1.00 14.01 H new ATOM 0 HD2 LYS A 51 19.591 -2.505 5.520 1.00 70.24 H new ATOM 0 HD3 LYS A 51 21.067 -2.216 4.621 1.00 70.24 H new ATOM 0 HE2 LYS A 51 20.016 -0.234 3.515 1.00 74.53 H new ATOM 0 HE3 LYS A 51 18.524 -0.530 4.385 1.00 74.53 H new ATOM 0 HZ1 LYS A 51 19.846 1.168 5.463 1.00 23.32 H new ATOM 0 HZ2 LYS A 51 19.708 -0.189 6.475 1.00 23.32 H new ATOM 0 HZ3 LYS A 51 21.154 0.098 5.631 1.00 23.32 H new ATOM 862 N LYS A 52 15.180 -2.350 5.373 1.00 12.24 N ATOM 863 CA LYS A 52 13.777 -1.913 5.492 1.00 53.41 C ATOM 864 C LYS A 52 13.580 -0.570 4.770 1.00 32.10 C ATOM 865 O LYS A 52 14.290 0.404 5.059 1.00 21.12 O ATOM 866 CB LYS A 52 13.418 -1.764 6.992 1.00 3.11 C ATOM 867 CG LYS A 52 11.993 -1.226 7.270 1.00 25.23 C ATOM 868 CD LYS A 52 11.751 -0.956 8.773 1.00 64.44 C ATOM 869 CE LYS A 52 12.672 0.147 9.328 1.00 23.25 C ATOM 870 NZ LYS A 52 12.593 0.241 10.808 1.00 2.42 N ATOM 0 H LYS A 52 15.779 -1.980 6.111 1.00 12.24 H new ATOM 0 HA LYS A 52 13.125 -2.655 5.032 1.00 53.41 H new ATOM 0 HB2 LYS A 52 13.525 -2.736 7.475 1.00 3.11 H new ATOM 0 HB3 LYS A 52 14.141 -1.095 7.459 1.00 3.11 H new ATOM 0 HG2 LYS A 52 11.839 -0.305 6.708 1.00 25.23 H new ATOM 0 HG3 LYS A 52 11.258 -1.946 6.910 1.00 25.23 H new ATOM 0 HD2 LYS A 52 10.711 -0.667 8.924 1.00 64.44 H new ATOM 0 HD3 LYS A 52 11.911 -1.876 9.335 1.00 64.44 H new ATOM 0 HE2 LYS A 52 13.701 -0.056 9.031 1.00 23.25 H new ATOM 0 HE3 LYS A 52 12.397 1.105 8.888 1.00 23.25 H new ATOM 0 HZ1 LYS A 52 13.227 0.994 11.142 1.00 2.42 H new ATOM 0 HZ2 LYS A 52 11.616 0.460 11.090 1.00 2.42 H new ATOM 0 HZ3 LYS A 52 12.880 -0.665 11.229 1.00 2.42 H new ATOM 884 N GLU A 53 12.619 -0.521 3.841 1.00 54.10 N ATOM 885 CA GLU A 53 12.242 0.708 3.127 1.00 44.31 C ATOM 886 C GLU A 53 10.717 0.741 2.989 1.00 12.20 C ATOM 887 O GLU A 53 10.132 -0.161 2.394 1.00 33.22 O ATOM 888 CB GLU A 53 12.932 0.764 1.746 1.00 3.11 C ATOM 889 CG GLU A 53 12.773 2.117 1.014 1.00 15.24 C ATOM 890 CD GLU A 53 13.750 2.281 -0.158 1.00 55.40 C ATOM 891 OE1 GLU A 53 14.607 3.192 -0.126 1.00 55.15 O ATOM 892 OE2 GLU A 53 13.677 1.495 -1.120 1.00 55.54 O ATOM 0 H GLU A 53 12.076 -1.338 3.560 1.00 54.10 H new ATOM 0 HA GLU A 53 12.571 1.583 3.688 1.00 44.31 H new ATOM 0 HB2 GLU A 53 13.994 0.555 1.874 1.00 3.11 H new ATOM 0 HB3 GLU A 53 12.525 -0.027 1.116 1.00 3.11 H new ATOM 0 HG2 GLU A 53 11.752 2.206 0.644 1.00 15.24 H new ATOM 0 HG3 GLU A 53 12.927 2.929 1.725 1.00 15.24 H new ATOM 899 N ASN A 54 10.077 1.765 3.571 1.00 73.31 N ATOM 900 CA ASN A 54 8.609 1.879 3.593 1.00 1.03 C ATOM 901 C ASN A 54 8.085 2.618 2.347 1.00 3.52 C ATOM 902 O ASN A 54 8.681 3.590 1.892 1.00 70.24 O ATOM 903 CB ASN A 54 8.144 2.571 4.903 1.00 62.31 C ATOM 904 CG ASN A 54 8.466 1.726 6.147 1.00 15.20 C ATOM 905 OD1 ASN A 54 9.532 1.854 6.751 1.00 5.33 O ATOM 906 ND2 ASN A 54 7.562 0.834 6.522 1.00 32.33 N ATOM 0 H ASN A 54 10.558 2.534 4.038 1.00 73.31 H new ATOM 0 HA ASN A 54 8.186 0.875 3.569 1.00 1.03 H new ATOM 0 HB2 ASN A 54 8.628 3.544 4.990 1.00 62.31 H new ATOM 0 HB3 ASN A 54 7.070 2.752 4.856 1.00 62.31 H new ATOM 0 HD21 ASN A 54 7.741 0.234 7.327 1.00 32.33 H new ATOM 0 HD22 ASN A 54 6.687 0.747 6.006 1.00 32.33 H new ATOM 913 N TYR A 55 6.977 2.114 1.776 1.00 13.41 N ATOM 914 CA TYR A 55 6.319 2.716 0.599 1.00 54.54 C ATOM 915 C TYR A 55 4.853 3.017 0.939 1.00 25.44 C ATOM 916 O TYR A 55 4.095 2.101 1.259 1.00 40.20 O ATOM 917 CB TYR A 55 6.390 1.746 -0.612 1.00 53.40 C ATOM 918 CG TYR A 55 7.785 1.548 -1.229 1.00 75.43 C ATOM 919 CD1 TYR A 55 8.078 2.022 -2.509 1.00 73.52 C ATOM 920 CD2 TYR A 55 8.804 0.883 -0.542 1.00 55.20 C ATOM 921 CE1 TYR A 55 9.318 1.835 -3.078 1.00 65.52 C ATOM 922 CE2 TYR A 55 10.053 0.697 -1.109 1.00 50.14 C ATOM 923 CZ TYR A 55 10.303 1.181 -2.377 1.00 13.10 C ATOM 924 OH TYR A 55 11.544 1.017 -2.950 1.00 31.13 O ATOM 0 H TYR A 55 6.510 1.274 2.118 1.00 13.41 H new ATOM 0 HA TYR A 55 6.832 3.641 0.335 1.00 54.54 H new ATOM 0 HB2 TYR A 55 6.011 0.774 -0.297 1.00 53.40 H new ATOM 0 HB3 TYR A 55 5.719 2.114 -1.388 1.00 53.40 H new ATOM 0 HD1 TYR A 55 7.315 2.547 -3.065 1.00 73.52 H new ATOM 0 HD2 TYR A 55 8.613 0.506 0.452 1.00 55.20 H new ATOM 0 HE1 TYR A 55 9.516 2.202 -4.074 1.00 65.52 H new ATOM 0 HE2 TYR A 55 10.826 0.177 -0.563 1.00 50.14 H new ATOM 0 HH TYR A 55 12.239 1.178 -2.278 1.00 31.13 H new ATOM 934 N THR A 56 4.473 4.300 0.863 1.00 72.41 N ATOM 935 CA THR A 56 3.091 4.735 1.061 1.00 4.31 C ATOM 936 C THR A 56 2.329 4.642 -0.275 1.00 21.33 C ATOM 937 O THR A 56 2.439 5.526 -1.128 1.00 1.52 O ATOM 938 CB THR A 56 3.051 6.200 1.617 1.00 10.21 C ATOM 939 OG1 THR A 56 3.892 6.293 2.779 1.00 34.24 O ATOM 940 CG2 THR A 56 1.625 6.648 1.985 1.00 74.10 C ATOM 0 H THR A 56 5.119 5.063 0.662 1.00 72.41 H new ATOM 0 HA THR A 56 2.611 4.084 1.792 1.00 4.31 H new ATOM 0 HB THR A 56 3.411 6.860 0.827 1.00 10.21 H new ATOM 0 HG1 THR A 56 3.869 7.209 3.127 1.00 34.24 H new ATOM 0 HG21 THR A 56 1.651 7.669 2.365 1.00 74.10 H new ATOM 0 HG22 THR A 56 0.991 6.606 1.100 1.00 74.10 H new ATOM 0 HG23 THR A 56 1.222 5.986 2.751 1.00 74.10 H new ATOM 948 N VAL A 57 1.551 3.566 -0.432 1.00 65.24 N ATOM 949 CA VAL A 57 0.747 3.322 -1.631 1.00 4.45 C ATOM 950 C VAL A 57 -0.644 3.890 -1.373 1.00 71.00 C ATOM 951 O VAL A 57 -1.435 3.330 -0.602 1.00 30.13 O ATOM 952 CB VAL A 57 0.662 1.791 -1.980 1.00 5.41 C ATOM 953 CG1 VAL A 57 -0.115 1.549 -3.297 1.00 33.42 C ATOM 954 CG2 VAL A 57 2.073 1.168 -2.041 1.00 64.50 C ATOM 0 H VAL A 57 1.462 2.836 0.275 1.00 65.24 H new ATOM 0 HA VAL A 57 1.214 3.808 -2.488 1.00 4.45 H new ATOM 0 HB VAL A 57 0.106 1.298 -1.183 1.00 5.41 H new ATOM 0 HG11 VAL A 57 -0.153 0.480 -3.506 1.00 33.42 H new ATOM 0 HG12 VAL A 57 -1.129 1.936 -3.197 1.00 33.42 H new ATOM 0 HG13 VAL A 57 0.390 2.061 -4.116 1.00 33.42 H new ATOM 0 HG21 VAL A 57 1.993 0.108 -2.284 1.00 64.50 H new ATOM 0 HG22 VAL A 57 2.661 1.672 -2.808 1.00 64.50 H new ATOM 0 HG23 VAL A 57 2.563 1.283 -1.074 1.00 64.50 H new ATOM 964 N GLU A 58 -0.896 5.038 -1.985 1.00 43.03 N ATOM 965 CA GLU A 58 -2.132 5.792 -1.824 1.00 55.44 C ATOM 966 C GLU A 58 -3.179 5.238 -2.792 1.00 21.14 C ATOM 967 O GLU A 58 -3.100 5.472 -3.993 1.00 65.50 O ATOM 968 CB GLU A 58 -1.830 7.289 -2.079 1.00 71.33 C ATOM 969 CG GLU A 58 -0.719 7.843 -1.154 1.00 1.22 C ATOM 970 CD GLU A 58 -0.317 9.295 -1.424 1.00 32.21 C ATOM 971 OE1 GLU A 58 0.892 9.598 -1.420 1.00 15.11 O ATOM 972 OE2 GLU A 58 -1.207 10.155 -1.595 1.00 73.20 O ATOM 0 H GLU A 58 -0.233 5.481 -2.621 1.00 43.03 H new ATOM 0 HA GLU A 58 -2.531 5.695 -0.814 1.00 55.44 H new ATOM 0 HB2 GLU A 58 -1.531 7.423 -3.119 1.00 71.33 H new ATOM 0 HB3 GLU A 58 -2.741 7.869 -1.932 1.00 71.33 H new ATOM 0 HG2 GLU A 58 -1.054 7.761 -0.120 1.00 1.22 H new ATOM 0 HG3 GLU A 58 0.164 7.212 -1.254 1.00 1.22 H new ATOM 979 N VAL A 59 -4.096 4.430 -2.257 1.00 63.23 N ATOM 980 CA VAL A 59 -5.202 3.836 -3.007 1.00 52.44 C ATOM 981 C VAL A 59 -6.505 4.554 -2.608 1.00 43.23 C ATOM 982 O VAL A 59 -6.963 4.421 -1.474 1.00 2.53 O ATOM 983 CB VAL A 59 -5.315 2.291 -2.724 1.00 11.13 C ATOM 984 CG1 VAL A 59 -6.343 1.623 -3.653 1.00 51.54 C ATOM 985 CG2 VAL A 59 -3.934 1.593 -2.821 1.00 30.33 C ATOM 0 H VAL A 59 -4.090 4.166 -1.272 1.00 63.23 H new ATOM 0 HA VAL A 59 -5.021 3.958 -4.075 1.00 52.44 H new ATOM 0 HB VAL A 59 -5.671 2.174 -1.700 1.00 11.13 H new ATOM 0 HG11 VAL A 59 -6.396 0.557 -3.431 1.00 51.54 H new ATOM 0 HG12 VAL A 59 -7.322 2.075 -3.497 1.00 51.54 H new ATOM 0 HG13 VAL A 59 -6.040 1.763 -4.691 1.00 51.54 H new ATOM 0 HG21 VAL A 59 -4.050 0.528 -2.620 1.00 30.33 H new ATOM 0 HG22 VAL A 59 -3.526 1.731 -3.822 1.00 30.33 H new ATOM 0 HG23 VAL A 59 -3.254 2.029 -2.089 1.00 30.33 H new ATOM 995 N GLU A 60 -7.082 5.323 -3.543 1.00 32.40 N ATOM 996 CA GLU A 60 -8.273 6.157 -3.291 1.00 51.52 C ATOM 997 C GLU A 60 -9.534 5.471 -3.830 1.00 34.43 C ATOM 998 O GLU A 60 -9.472 4.703 -4.799 1.00 44.42 O ATOM 999 CB GLU A 60 -8.086 7.527 -3.987 1.00 55.12 C ATOM 1000 CG GLU A 60 -9.224 8.548 -3.770 1.00 13.32 C ATOM 1001 CD GLU A 60 -9.019 9.843 -4.568 1.00 11.33 C ATOM 1002 OE1 GLU A 60 -8.177 10.670 -4.170 1.00 55.04 O ATOM 1003 OE2 GLU A 60 -9.708 10.044 -5.592 1.00 3.04 O ATOM 0 H GLU A 60 -6.736 5.386 -4.501 1.00 32.40 H new ATOM 0 HA GLU A 60 -8.390 6.298 -2.216 1.00 51.52 H new ATOM 0 HB2 GLU A 60 -7.154 7.969 -3.635 1.00 55.12 H new ATOM 0 HB3 GLU A 60 -7.974 7.358 -5.058 1.00 55.12 H new ATOM 0 HG2 GLU A 60 -10.173 8.095 -4.058 1.00 13.32 H new ATOM 0 HG3 GLU A 60 -9.294 8.787 -2.709 1.00 13.32 H new ATOM 1010 N ARG A 61 -10.675 5.746 -3.174 1.00 21.54 N ATOM 1011 CA ARG A 61 -11.987 5.282 -3.616 1.00 40.13 C ATOM 1012 C ARG A 61 -12.374 5.994 -4.928 1.00 24.42 C ATOM 1013 O ARG A 61 -12.669 7.195 -4.929 1.00 52.54 O ATOM 1014 CB ARG A 61 -13.051 5.569 -2.524 1.00 54.45 C ATOM 1015 CG ARG A 61 -14.455 5.046 -2.884 1.00 65.33 C ATOM 1016 CD ARG A 61 -14.593 3.521 -2.729 1.00 21.23 C ATOM 1017 NE ARG A 61 -14.843 3.144 -1.331 1.00 32.40 N ATOM 1018 CZ ARG A 61 -15.117 1.908 -0.889 1.00 3.21 C ATOM 1019 NH1 ARG A 61 -15.181 0.866 -1.716 1.00 45.23 N ATOM 1020 NH2 ARG A 61 -15.305 1.720 0.409 1.00 0.31 N ATOM 0 H ARG A 61 -10.705 6.300 -2.318 1.00 21.54 H new ATOM 0 HA ARG A 61 -11.944 4.207 -3.790 1.00 40.13 H new ATOM 0 HB2 ARG A 61 -12.731 5.113 -1.587 1.00 54.45 H new ATOM 0 HB3 ARG A 61 -13.105 6.644 -2.353 1.00 54.45 H new ATOM 0 HG2 ARG A 61 -15.192 5.537 -2.249 1.00 65.33 H new ATOM 0 HG3 ARG A 61 -14.686 5.322 -3.913 1.00 65.33 H new ATOM 0 HD2 ARG A 61 -15.410 3.163 -3.356 1.00 21.23 H new ATOM 0 HD3 ARG A 61 -13.684 3.034 -3.082 1.00 21.23 H new ATOM 0 HE ARG A 61 -14.805 3.889 -0.635 1.00 32.40 H new ATOM 0 HH11 ARG A 61 -15.019 0.997 -2.715 1.00 45.23 H new ATOM 0 HH12 ARG A 61 -15.391 -0.063 -1.351 1.00 45.23 H new ATOM 0 HH21 ARG A 61 -15.240 2.508 1.053 1.00 0.31 H new ATOM 0 HH22 ARG A 61 -15.514 0.787 0.764 1.00 0.31 H new ATOM 1034 N GLN A 62 -12.310 5.254 -6.035 1.00 33.11 N ATOM 1035 CA GLN A 62 -12.774 5.706 -7.349 1.00 60.54 C ATOM 1036 C GLN A 62 -14.234 5.255 -7.531 1.00 20.34 C ATOM 1037 O GLN A 62 -14.502 4.168 -8.065 1.00 33.22 O ATOM 1038 CB GLN A 62 -11.850 5.138 -8.462 1.00 53.53 C ATOM 1039 CG GLN A 62 -12.123 5.696 -9.874 1.00 1.00 C ATOM 1040 CD GLN A 62 -11.961 7.223 -9.972 1.00 73.35 C ATOM 1041 OE1 GLN A 62 -11.164 7.833 -9.257 1.00 65.11 O ATOM 1042 NE2 GLN A 62 -12.719 7.851 -10.851 1.00 31.13 N ATOM 0 H GLN A 62 -11.928 4.308 -6.045 1.00 33.11 H new ATOM 0 HA GLN A 62 -12.732 6.793 -7.419 1.00 60.54 H new ATOM 0 HB2 GLN A 62 -10.814 5.348 -8.197 1.00 53.53 H new ATOM 0 HB3 GLN A 62 -11.959 4.054 -8.487 1.00 53.53 H new ATOM 0 HG2 GLN A 62 -11.444 5.220 -10.582 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -13.136 5.426 -10.173 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -13.371 7.323 -11.431 1.00 31.13 H new ATOM 0 HE22 GLN A 62 -12.653 8.864 -10.950 1.00 31.13 H new ATOM 1051 N GLY A 63 -15.174 6.083 -7.032 1.00 55.34 N ATOM 1052 CA GLY A 63 -16.596 5.742 -7.028 1.00 4.42 C ATOM 1053 C GLY A 63 -16.891 4.606 -6.056 1.00 54.11 C ATOM 1054 O GLY A 63 -17.021 4.827 -4.855 1.00 31.24 O ATOM 0 H GLY A 63 -14.964 6.995 -6.627 1.00 55.34 H new ATOM 0 HA2 GLY A 63 -17.182 6.619 -6.754 1.00 4.42 H new ATOM 0 HA3 GLY A 63 -16.906 5.453 -8.032 1.00 4.42 H new ATOM 1058 N ASN A 64 -16.989 3.387 -6.590 1.00 11.22 N ATOM 1059 CA ASN A 64 -17.198 2.153 -5.804 1.00 24.44 C ATOM 1060 C ASN A 64 -15.868 1.395 -5.652 1.00 3.03 C ATOM 1061 O ASN A 64 -15.593 0.794 -4.611 1.00 64.32 O ATOM 1062 CB ASN A 64 -18.253 1.260 -6.511 1.00 72.04 C ATOM 1063 CG ASN A 64 -19.621 1.940 -6.645 1.00 21.45 C ATOM 1064 OD1 ASN A 64 -20.079 2.646 -5.744 1.00 52.33 O ATOM 1065 ND2 ASN A 64 -20.262 1.774 -7.785 1.00 2.42 N ATOM 0 H ASN A 64 -16.926 3.219 -7.594 1.00 11.22 H new ATOM 0 HA ASN A 64 -17.563 2.414 -4.811 1.00 24.44 H new ATOM 0 HB2 ASN A 64 -17.888 0.992 -7.502 1.00 72.04 H new ATOM 0 HB3 ASN A 64 -18.368 0.331 -5.952 1.00 72.04 H new ATOM 0 HD21 ASN A 64 -21.159 2.235 -7.938 1.00 2.42 H new ATOM 0 HD22 ASN A 64 -19.861 1.184 -8.514 1.00 2.42 H new ATOM 1072 N THR A 65 -15.036 1.467 -6.700 1.00 61.14 N ATOM 1073 CA THR A 65 -13.776 0.711 -6.800 1.00 14.31 C ATOM 1074 C THR A 65 -12.610 1.438 -6.099 1.00 75.13 C ATOM 1075 O THR A 65 -12.775 2.538 -5.574 1.00 73.11 O ATOM 1076 CB THR A 65 -13.421 0.453 -8.302 1.00 34.24 C ATOM 1077 OG1 THR A 65 -13.335 1.703 -9.014 1.00 42.33 O ATOM 1078 CG2 THR A 65 -14.457 -0.458 -8.985 1.00 1.04 C ATOM 0 H THR A 65 -15.219 2.057 -7.511 1.00 61.14 H new ATOM 0 HA THR A 65 -13.924 -0.242 -6.291 1.00 14.31 H new ATOM 0 HB THR A 65 -12.456 -0.053 -8.327 1.00 34.24 H new ATOM 0 HG1 THR A 65 -13.658 2.429 -8.441 1.00 42.33 H new ATOM 0 HG21 THR A 65 -14.175 -0.613 -10.026 1.00 1.04 H new ATOM 0 HG22 THR A 65 -14.491 -1.419 -8.471 1.00 1.04 H new ATOM 0 HG23 THR A 65 -15.440 0.012 -8.941 1.00 1.04 H new ATOM 1086 N TRP A 66 -11.442 0.771 -6.073 1.00 63.21 N ATOM 1087 CA TRP A 66 -10.184 1.308 -5.522 1.00 40.30 C ATOM 1088 C TRP A 66 -9.152 1.490 -6.652 1.00 32.40 C ATOM 1089 O TRP A 66 -9.037 0.628 -7.530 1.00 2.40 O ATOM 1090 CB TRP A 66 -9.639 0.337 -4.443 1.00 42.10 C ATOM 1091 CG TRP A 66 -10.510 0.267 -3.208 1.00 71.44 C ATOM 1092 CD1 TRP A 66 -11.346 -0.752 -2.821 1.00 71.00 C ATOM 1093 CD2 TRP A 66 -10.640 1.288 -2.208 1.00 20.42 C ATOM 1094 NE1 TRP A 66 -11.973 -0.421 -1.641 1.00 24.22 N ATOM 1095 CE2 TRP A 66 -11.555 0.825 -1.251 1.00 13.24 C ATOM 1096 CE3 TRP A 66 -10.059 2.542 -2.027 1.00 0.43 C ATOM 1097 CZ2 TRP A 66 -11.904 1.578 -0.140 1.00 34.24 C ATOM 1098 CZ3 TRP A 66 -10.415 3.292 -0.926 1.00 71.54 C ATOM 1099 CH2 TRP A 66 -11.327 2.804 0.007 1.00 5.21 C ATOM 0 H TRP A 66 -11.344 -0.175 -6.442 1.00 63.21 H new ATOM 0 HA TRP A 66 -10.371 2.279 -5.064 1.00 40.30 H new ATOM 0 HB2 TRP A 66 -9.549 -0.660 -4.873 1.00 42.10 H new ATOM 0 HB3 TRP A 66 -8.636 0.651 -4.155 1.00 42.10 H new ATOM 0 HD1 TRP A 66 -11.490 -1.676 -3.362 1.00 71.00 H new ATOM 0 HE1 TRP A 66 -12.640 -1.007 -1.139 1.00 24.22 H new ATOM 0 HE3 TRP A 66 -9.340 2.921 -2.739 1.00 0.43 H new ATOM 0 HZ2 TRP A 66 -12.611 1.205 0.586 1.00 34.24 H new ATOM 0 HZ3 TRP A 66 -9.981 4.271 -0.785 1.00 71.54 H new ATOM 0 HH2 TRP A 66 -11.582 3.409 0.864 1.00 5.21 H new ATOM 1110 N THR A 67 -8.394 2.606 -6.615 1.00 42.42 N ATOM 1111 CA THR A 67 -7.376 2.937 -7.632 1.00 14.11 C ATOM 1112 C THR A 67 -6.072 3.378 -6.950 1.00 73.44 C ATOM 1113 O THR A 67 -6.102 4.184 -6.017 1.00 1.54 O ATOM 1114 CB THR A 67 -7.873 4.063 -8.616 1.00 21.32 C ATOM 1115 OG1 THR A 67 -6.880 4.312 -9.622 1.00 3.30 O ATOM 1116 CG2 THR A 67 -8.211 5.397 -7.901 1.00 53.25 C ATOM 0 H THR A 67 -8.472 3.305 -5.876 1.00 42.42 H new ATOM 0 HA THR A 67 -7.195 2.037 -8.220 1.00 14.11 H new ATOM 0 HB THR A 67 -8.794 3.691 -9.065 1.00 21.32 H new ATOM 0 HG1 THR A 67 -7.198 5.012 -10.230 1.00 3.30 H new ATOM 0 HG21 THR A 67 -8.547 6.129 -8.636 1.00 53.25 H new ATOM 0 HG22 THR A 67 -9.002 5.228 -7.170 1.00 53.25 H new ATOM 0 HG23 THR A 67 -7.323 5.773 -7.394 1.00 53.25 H new ATOM 1124 N VAL A 68 -4.931 2.827 -7.394 1.00 45.44 N ATOM 1125 CA VAL A 68 -3.613 3.272 -6.923 1.00 72.54 C ATOM 1126 C VAL A 68 -3.283 4.628 -7.577 1.00 51.14 C ATOM 1127 O VAL A 68 -3.019 4.701 -8.786 1.00 53.15 O ATOM 1128 CB VAL A 68 -2.480 2.210 -7.213 1.00 14.54 C ATOM 1129 CG1 VAL A 68 -1.082 2.724 -6.773 1.00 72.40 C ATOM 1130 CG2 VAL A 68 -2.817 0.868 -6.523 1.00 52.50 C ATOM 0 H VAL A 68 -4.897 2.072 -8.079 1.00 45.44 H new ATOM 0 HA VAL A 68 -3.653 3.383 -5.839 1.00 72.54 H new ATOM 0 HB VAL A 68 -2.439 2.050 -8.290 1.00 14.54 H new ATOM 0 HG11 VAL A 68 -0.331 1.965 -6.989 1.00 72.40 H new ATOM 0 HG12 VAL A 68 -0.842 3.637 -7.317 1.00 72.40 H new ATOM 0 HG13 VAL A 68 -1.091 2.931 -5.703 1.00 72.40 H new ATOM 0 HG21 VAL A 68 -2.029 0.144 -6.730 1.00 52.50 H new ATOM 0 HG22 VAL A 68 -2.895 1.022 -5.447 1.00 52.50 H new ATOM 0 HG23 VAL A 68 -3.766 0.491 -6.905 1.00 52.50 H new ATOM 1140 N LYS A 69 -3.358 5.691 -6.756 1.00 62.30 N ATOM 1141 CA LYS A 69 -2.998 7.068 -7.133 1.00 32.43 C ATOM 1142 C LYS A 69 -1.509 7.141 -7.473 1.00 1.25 C ATOM 1143 O LYS A 69 -1.129 7.616 -8.553 1.00 21.21 O ATOM 1144 CB LYS A 69 -3.313 8.038 -5.949 1.00 30.33 C ATOM 1145 CG LYS A 69 -4.795 8.087 -5.524 1.00 21.41 C ATOM 1146 CD LYS A 69 -5.741 8.767 -6.554 1.00 33.25 C ATOM 1147 CE LYS A 69 -5.588 10.308 -6.611 1.00 54.21 C ATOM 1148 NZ LYS A 69 -4.340 10.757 -7.295 1.00 73.33 N ATOM 0 H LYS A 69 -3.678 5.614 -5.791 1.00 62.30 H new ATOM 0 HA LYS A 69 -3.580 7.362 -8.006 1.00 32.43 H new ATOM 0 HB2 LYS A 69 -2.713 7.743 -5.088 1.00 30.33 H new ATOM 0 HB3 LYS A 69 -2.997 9.043 -6.228 1.00 30.33 H new ATOM 0 HG2 LYS A 69 -5.143 7.069 -5.348 1.00 21.41 H new ATOM 0 HG3 LYS A 69 -4.870 8.618 -4.575 1.00 21.41 H new ATOM 0 HD2 LYS A 69 -5.545 8.354 -7.543 1.00 33.25 H new ATOM 0 HD3 LYS A 69 -6.773 8.521 -6.305 1.00 33.25 H new ATOM 0 HE2 LYS A 69 -6.449 10.732 -7.128 1.00 54.21 H new ATOM 0 HE3 LYS A 69 -5.599 10.704 -5.596 1.00 54.21 H new ATOM 0 HZ1 LYS A 69 -4.547 11.588 -7.886 1.00 73.33 H new ATOM 0 HZ2 LYS A 69 -3.625 11.008 -6.583 1.00 73.33 H new ATOM 0 HZ3 LYS A 69 -3.977 9.988 -7.894 1.00 73.33 H new ATOM 1162 N ARG A 70 -0.688 6.637 -6.542 1.00 70.13 N ATOM 1163 CA ARG A 70 0.774 6.583 -6.689 1.00 5.41 C ATOM 1164 C ARG A 70 1.387 5.850 -5.489 1.00 11.23 C ATOM 1165 O ARG A 70 0.886 5.952 -4.361 1.00 75.11 O ATOM 1166 CB ARG A 70 1.385 8.020 -6.811 1.00 63.41 C ATOM 1167 CG ARG A 70 2.922 8.080 -7.014 1.00 3.20 C ATOM 1168 CD ARG A 70 3.385 7.396 -8.319 1.00 42.40 C ATOM 1169 NE ARG A 70 4.857 7.334 -8.433 1.00 13.33 N ATOM 1170 CZ ARG A 70 5.537 7.126 -9.577 1.00 2.41 C ATOM 1171 NH1 ARG A 70 4.889 6.947 -10.732 1.00 12.15 N ATOM 1172 NH2 ARG A 70 6.864 7.118 -9.554 1.00 31.15 N ATOM 0 H ARG A 70 -1.022 6.252 -5.658 1.00 70.13 H new ATOM 0 HA ARG A 70 1.007 6.040 -7.605 1.00 5.41 H new ATOM 0 HB2 ARG A 70 0.906 8.529 -7.647 1.00 63.41 H new ATOM 0 HB3 ARG A 70 1.133 8.580 -5.910 1.00 63.41 H new ATOM 0 HG2 ARG A 70 3.241 9.122 -7.023 1.00 3.20 H new ATOM 0 HG3 ARG A 70 3.414 7.603 -6.166 1.00 3.20 H new ATOM 0 HD2 ARG A 70 2.978 6.386 -8.360 1.00 42.40 H new ATOM 0 HD3 ARG A 70 2.980 7.938 -9.173 1.00 42.40 H new ATOM 0 HE ARG A 70 5.400 7.458 -7.579 1.00 13.33 H new ATOM 0 HH11 ARG A 70 3.869 6.967 -10.753 1.00 12.15 H new ATOM 0 HH12 ARG A 70 5.414 6.790 -11.592 1.00 12.15 H new ATOM 0 HH21 ARG A 70 7.360 7.268 -8.675 1.00 31.15 H new ATOM 0 HH22 ARG A 70 7.388 6.961 -10.415 1.00 31.15 H new ATOM 1186 N ILE A 71 2.456 5.094 -5.757 1.00 51.33 N ATOM 1187 CA ILE A 71 3.317 4.524 -4.725 1.00 43.12 C ATOM 1188 C ILE A 71 4.412 5.549 -4.394 1.00 32.34 C ATOM 1189 O ILE A 71 5.272 5.842 -5.231 1.00 10.15 O ATOM 1190 CB ILE A 71 3.965 3.175 -5.202 1.00 44.43 C ATOM 1191 CG1 ILE A 71 2.855 2.158 -5.602 1.00 13.45 C ATOM 1192 CG2 ILE A 71 4.903 2.591 -4.120 1.00 53.45 C ATOM 1193 CD1 ILE A 71 3.350 0.780 -5.961 1.00 1.11 C ATOM 0 H ILE A 71 2.748 4.860 -6.706 1.00 51.33 H new ATOM 0 HA ILE A 71 2.721 4.303 -3.840 1.00 43.12 H new ATOM 0 HB ILE A 71 4.576 3.377 -6.082 1.00 44.43 H new ATOM 0 HG12 ILE A 71 2.150 2.070 -4.776 1.00 13.45 H new ATOM 0 HG13 ILE A 71 2.303 2.561 -6.451 1.00 13.45 H new ATOM 0 HG21 ILE A 71 5.336 1.658 -4.479 1.00 53.45 H new ATOM 0 HG22 ILE A 71 5.700 3.303 -3.907 1.00 53.45 H new ATOM 0 HG23 ILE A 71 4.334 2.400 -3.210 1.00 53.45 H new ATOM 0 HD11 ILE A 71 2.503 0.146 -6.224 1.00 1.11 H new ATOM 0 HD12 ILE A 71 4.031 0.848 -6.810 1.00 1.11 H new ATOM 0 HD13 ILE A 71 3.875 0.348 -5.109 1.00 1.11 H new ATOM 1205 N THR A 72 4.344 6.125 -3.193 1.00 51.23 N ATOM 1206 CA THR A 72 5.333 7.080 -2.701 1.00 42.12 C ATOM 1207 C THR A 72 6.415 6.322 -1.925 1.00 45.42 C ATOM 1208 O THR A 72 6.165 5.802 -0.838 1.00 54.10 O ATOM 1209 CB THR A 72 4.662 8.154 -1.780 1.00 4.45 C ATOM 1210 OG1 THR A 72 3.560 8.744 -2.475 1.00 75.30 O ATOM 1211 CG2 THR A 72 5.650 9.259 -1.362 1.00 53.30 C ATOM 0 H THR A 72 3.592 5.939 -2.529 1.00 51.23 H new ATOM 0 HA THR A 72 5.780 7.598 -3.549 1.00 42.12 H new ATOM 0 HB THR A 72 4.324 7.652 -0.873 1.00 4.45 H new ATOM 0 HG1 THR A 72 2.838 8.935 -1.841 1.00 75.30 H new ATOM 0 HG21 THR A 72 5.140 9.981 -0.724 1.00 53.30 H new ATOM 0 HG22 THR A 72 6.482 8.815 -0.815 1.00 53.30 H new ATOM 0 HG23 THR A 72 6.029 9.764 -2.251 1.00 53.30 H new ATOM 1219 N ARG A 73 7.594 6.209 -2.533 1.00 70.21 N ATOM 1220 CA ARG A 73 8.789 5.709 -1.855 1.00 62.30 C ATOM 1221 C ARG A 73 9.221 6.752 -0.809 1.00 63.41 C ATOM 1222 O ARG A 73 9.324 7.945 -1.148 1.00 0.43 O ATOM 1223 CB ARG A 73 9.915 5.482 -2.892 1.00 45.41 C ATOM 1224 CG ARG A 73 11.251 4.987 -2.294 1.00 51.44 C ATOM 1225 CD ARG A 73 12.339 4.815 -3.362 1.00 42.11 C ATOM 1226 NE ARG A 73 13.617 4.371 -2.790 1.00 13.40 N ATOM 1227 CZ ARG A 73 14.834 4.705 -3.245 1.00 5.02 C ATOM 1228 NH1 ARG A 73 14.979 5.495 -4.310 1.00 41.22 N ATOM 1229 NH2 ARG A 73 15.903 4.240 -2.616 1.00 54.13 N ATOM 0 H ARG A 73 7.748 6.461 -3.509 1.00 70.21 H new ATOM 0 HA ARG A 73 8.581 4.760 -1.361 1.00 62.30 H new ATOM 0 HB2 ARG A 73 9.571 4.756 -3.629 1.00 45.41 H new ATOM 0 HB3 ARG A 73 10.094 6.416 -3.424 1.00 45.41 H new ATOM 0 HG2 ARG A 73 11.594 5.696 -1.540 1.00 51.44 H new ATOM 0 HG3 ARG A 73 11.089 4.036 -1.787 1.00 51.44 H new ATOM 0 HD2 ARG A 73 12.005 4.090 -4.105 1.00 42.11 H new ATOM 0 HD3 ARG A 73 12.486 5.761 -3.883 1.00 42.11 H new ATOM 0 HE ARG A 73 13.576 3.756 -1.977 1.00 13.40 H new ATOM 0 HH11 ARG A 73 14.156 5.856 -4.793 1.00 41.22 H new ATOM 0 HH12 ARG A 73 15.913 5.738 -4.641 1.00 41.22 H new ATOM 0 HH21 ARG A 73 15.793 3.638 -1.800 1.00 54.13 H new ATOM 0 HH22 ARG A 73 16.836 4.484 -2.948 1.00 54.13 H new ATOM 1243 N THR A 74 9.445 6.307 0.443 1.00 62.33 N ATOM 1244 CA THR A 74 9.855 7.196 1.538 1.00 35.32 C ATOM 1245 C THR A 74 11.204 7.882 1.215 1.00 12.43 C ATOM 1246 O THR A 74 12.154 7.225 0.748 1.00 10.33 O ATOM 1247 CB THR A 74 9.943 6.432 2.907 1.00 52.45 C ATOM 1248 OG1 THR A 74 10.171 7.368 3.968 1.00 1.32 O ATOM 1249 CG2 THR A 74 11.045 5.347 2.938 1.00 42.12 C ATOM 0 H THR A 74 9.347 5.330 0.718 1.00 62.33 H new ATOM 0 HA THR A 74 9.087 7.964 1.635 1.00 35.32 H new ATOM 0 HB THR A 74 8.990 5.920 3.037 1.00 52.45 H new ATOM 0 HG1 THR A 74 10.224 6.889 4.821 1.00 1.32 H new ATOM 0 HG21 THR A 74 11.049 4.860 3.913 1.00 42.12 H new ATOM 0 HG22 THR A 74 10.848 4.606 2.163 1.00 42.12 H new ATOM 0 HG23 THR A 74 12.016 5.809 2.760 1.00 42.12 H new ATOM 1257 N VAL A 75 11.255 9.216 1.400 1.00 33.00 N ATOM 1258 CA VAL A 75 12.488 9.985 1.228 1.00 42.41 C ATOM 1259 C VAL A 75 13.428 9.707 2.435 1.00 35.34 C ATOM 1260 O VAL A 75 13.182 10.152 3.560 1.00 73.14 O ATOM 1261 CB VAL A 75 12.213 11.532 1.003 1.00 63.13 C ATOM 1262 CG1 VAL A 75 11.341 12.161 2.120 1.00 74.05 C ATOM 1263 CG2 VAL A 75 13.535 12.323 0.803 1.00 5.30 C ATOM 0 H VAL A 75 10.448 9.779 1.670 1.00 33.00 H new ATOM 0 HA VAL A 75 12.987 9.657 0.316 1.00 42.41 H new ATOM 0 HB VAL A 75 11.634 11.607 0.083 1.00 63.13 H new ATOM 0 HG11 VAL A 75 11.188 13.220 1.910 1.00 74.05 H new ATOM 0 HG12 VAL A 75 10.376 11.655 2.156 1.00 74.05 H new ATOM 0 HG13 VAL A 75 11.845 12.051 3.080 1.00 74.05 H new ATOM 0 HG21 VAL A 75 13.308 13.378 0.652 1.00 5.30 H new ATOM 0 HG22 VAL A 75 14.164 12.210 1.686 1.00 5.30 H new ATOM 0 HG23 VAL A 75 14.062 11.936 -0.069 1.00 5.30 H new ATOM 1273 N GLY A 76 14.442 8.866 2.187 1.00 24.55 N ATOM 1274 CA GLY A 76 15.502 8.555 3.170 1.00 61.30 C ATOM 1275 C GLY A 76 16.857 8.327 2.512 1.00 53.30 C ATOM 1276 O GLY A 76 17.838 8.001 3.188 1.00 10.43 O ATOM 0 H GLY A 76 14.555 8.379 1.298 1.00 24.55 H new ATOM 0 HA2 GLY A 76 15.582 9.374 3.885 1.00 61.30 H new ATOM 0 HA3 GLY A 76 15.221 7.666 3.734 1.00 61.30 H new ATOM 1280 N SER A 77 16.899 8.507 1.186 1.00 64.22 N ATOM 1281 CA SER A 77 18.100 8.340 0.361 1.00 5.31 C ATOM 1282 C SER A 77 18.272 9.595 -0.501 1.00 14.34 C ATOM 1283 O SER A 77 17.289 10.072 -1.095 1.00 3.12 O ATOM 1284 CB SER A 77 17.958 7.079 -0.530 1.00 12.14 C ATOM 1285 OG SER A 77 19.098 6.891 -1.358 1.00 15.01 O ATOM 0 H SER A 77 16.078 8.779 0.645 1.00 64.22 H new ATOM 0 HA SER A 77 18.978 8.208 0.993 1.00 5.31 H new ATOM 0 HB2 SER A 77 17.817 6.201 0.101 1.00 12.14 H new ATOM 0 HB3 SER A 77 17.067 7.171 -1.152 1.00 12.14 H new ATOM 0 HG SER A 77 18.976 6.087 -1.905 1.00 15.01 H new ATOM 1291 N LEU A 78 19.502 10.129 -0.564 1.00 12.35 N ATOM 1292 CA LEU A 78 19.814 11.308 -1.381 1.00 75.32 C ATOM 1293 C LEU A 78 19.919 10.869 -2.842 1.00 15.32 C ATOM 1294 O LEU A 78 20.905 10.225 -3.239 1.00 74.03 O ATOM 1295 CB LEU A 78 21.125 12.013 -0.914 1.00 22.53 C ATOM 1296 CG LEU A 78 21.142 12.578 0.553 1.00 23.31 C ATOM 1297 CD1 LEU A 78 19.870 13.404 0.863 1.00 70.10 C ATOM 1298 CD2 LEU A 78 21.371 11.464 1.604 1.00 2.11 C ATOM 0 H LEU A 78 20.302 9.757 -0.053 1.00 12.35 H new ATOM 0 HA LEU A 78 19.015 12.040 -1.267 1.00 75.32 H new ATOM 0 HB2 LEU A 78 21.946 11.304 -1.014 1.00 22.53 H new ATOM 0 HB3 LEU A 78 21.330 12.837 -1.598 1.00 22.53 H new ATOM 0 HG LEU A 78 21.993 13.256 0.620 1.00 23.31 H new ATOM 0 HD11 LEU A 78 19.919 13.777 1.886 1.00 70.10 H new ATOM 0 HD12 LEU A 78 19.805 14.245 0.172 1.00 70.10 H new ATOM 0 HD13 LEU A 78 18.989 12.772 0.749 1.00 70.10 H new ATOM 0 HD21 LEU A 78 21.375 11.901 2.603 1.00 2.11 H new ATOM 0 HD22 LEU A 78 20.571 10.727 1.534 1.00 2.11 H new ATOM 0 HD23 LEU A 78 22.329 10.978 1.417 1.00 2.11 H new ATOM 1310 N GLU A 79 18.870 11.187 -3.613 1.00 32.51 N ATOM 1311 CA GLU A 79 18.749 10.814 -5.022 1.00 72.24 C ATOM 1312 C GLU A 79 19.765 11.602 -5.868 1.00 52.01 C ATOM 1313 O GLU A 79 19.505 12.729 -6.299 1.00 72.43 O ATOM 1314 CB GLU A 79 17.292 11.021 -5.505 1.00 63.43 C ATOM 1315 CG GLU A 79 16.263 10.211 -4.690 1.00 33.24 C ATOM 1316 CD GLU A 79 14.819 10.402 -5.166 1.00 21.34 C ATOM 1317 OE1 GLU A 79 14.201 11.433 -4.823 1.00 10.12 O ATOM 1318 OE2 GLU A 79 14.291 9.520 -5.878 1.00 22.30 O ATOM 0 H GLU A 79 18.072 11.719 -3.266 1.00 32.51 H new ATOM 0 HA GLU A 79 18.981 9.756 -5.142 1.00 72.24 H new ATOM 0 HB2 GLU A 79 17.042 12.080 -5.444 1.00 63.43 H new ATOM 0 HB3 GLU A 79 17.220 10.737 -6.555 1.00 63.43 H new ATOM 0 HG2 GLU A 79 16.519 9.153 -4.746 1.00 33.24 H new ATOM 0 HG3 GLU A 79 16.333 10.501 -3.641 1.00 33.24 H new ATOM 1325 N HIS A 80 20.952 10.983 -6.015 1.00 0.53 N ATOM 1326 CA HIS A 80 22.090 11.499 -6.793 1.00 24.11 C ATOM 1327 C HIS A 80 21.672 11.832 -8.239 1.00 31.21 C ATOM 1328 O HIS A 80 21.327 10.943 -9.021 1.00 11.40 O ATOM 1329 CB HIS A 80 23.260 10.466 -6.746 1.00 31.12 C ATOM 1330 CG HIS A 80 22.862 9.029 -6.991 1.00 70.41 C ATOM 1331 ND1 HIS A 80 22.306 8.226 -6.010 1.00 50.21 N ATOM 1332 CD2 HIS A 80 22.952 8.242 -8.095 1.00 14.02 C ATOM 1333 CE1 HIS A 80 22.078 7.023 -6.499 1.00 51.40 C ATOM 1334 NE2 HIS A 80 22.459 7.009 -7.755 1.00 2.12 N ATOM 0 H HIS A 80 21.150 10.081 -5.581 1.00 0.53 H new ATOM 0 HA HIS A 80 22.436 12.432 -6.348 1.00 24.11 H new ATOM 0 HB2 HIS A 80 24.005 10.751 -7.489 1.00 31.12 H new ATOM 0 HB3 HIS A 80 23.742 10.531 -5.770 1.00 31.12 H new ATOM 0 HD2 HIS A 80 23.340 8.533 -9.060 1.00 14.02 H new ATOM 0 HE1 HIS A 80 21.651 6.191 -5.959 1.00 51.40 H new ATOM 0 HE2 HIS A 80 22.398 6.206 -8.381 1.00 2.12 H new ATOM 1343 N HIS A 81 21.681 13.134 -8.562 1.00 14.43 N ATOM 1344 CA HIS A 81 21.215 13.658 -9.857 1.00 74.40 C ATOM 1345 C HIS A 81 22.318 14.526 -10.492 1.00 3.04 C ATOM 1346 O HIS A 81 22.935 15.363 -9.815 1.00 32.54 O ATOM 1347 CB HIS A 81 19.894 14.451 -9.668 1.00 52.23 C ATOM 1348 CG HIS A 81 19.991 15.667 -8.776 1.00 12.43 C ATOM 1349 ND1 HIS A 81 19.942 16.956 -9.254 1.00 21.42 N ATOM 1350 CD2 HIS A 81 20.109 15.780 -7.431 1.00 61.13 C ATOM 1351 CE1 HIS A 81 20.020 17.803 -8.247 1.00 4.10 C ATOM 1352 NE2 HIS A 81 20.123 17.117 -7.130 1.00 64.31 N ATOM 0 H HIS A 81 22.014 13.860 -7.927 1.00 14.43 H new ATOM 0 HA HIS A 81 21.006 12.831 -10.535 1.00 74.40 H new ATOM 0 HB2 HIS A 81 19.537 14.768 -10.648 1.00 52.23 H new ATOM 0 HB3 HIS A 81 19.142 13.778 -9.256 1.00 52.23 H new ATOM 0 HD2 HIS A 81 20.179 14.966 -6.725 1.00 61.13 H new ATOM 0 HE1 HIS A 81 20.002 18.880 -8.326 1.00 4.10 H new ATOM 0 HE2 HIS A 81 20.201 17.514 -6.194 1.00 64.31 H new ATOM 1361 N HIS A 82 22.561 14.321 -11.797 1.00 0.21 N ATOM 1362 CA HIS A 82 23.670 14.976 -12.520 1.00 51.32 C ATOM 1363 C HIS A 82 23.261 15.297 -13.968 1.00 25.34 C ATOM 1364 O HIS A 82 22.293 14.735 -14.494 1.00 12.31 O ATOM 1365 CB HIS A 82 24.938 14.068 -12.508 1.00 21.34 C ATOM 1366 CG HIS A 82 24.830 12.831 -13.375 1.00 44.03 C ATOM 1367 ND1 HIS A 82 25.448 12.717 -14.607 1.00 33.24 N ATOM 1368 CD2 HIS A 82 24.155 11.667 -13.199 1.00 51.41 C ATOM 1369 CE1 HIS A 82 25.158 11.548 -15.140 1.00 4.53 C ATOM 1370 NE2 HIS A 82 24.378 10.896 -14.309 1.00 22.40 N ATOM 0 H HIS A 82 21.999 13.701 -12.380 1.00 0.21 H new ATOM 0 HA HIS A 82 23.903 15.912 -12.012 1.00 51.32 H new ATOM 0 HB2 HIS A 82 25.794 14.656 -12.840 1.00 21.34 H new ATOM 0 HB3 HIS A 82 25.140 13.761 -11.482 1.00 21.34 H new ATOM 0 HD1 HIS A 82 26.038 13.429 -15.037 1.00 33.24 H new ATOM 0 HD2 HIS A 82 23.554 11.398 -12.343 1.00 51.41 H new ATOM 0 HE1 HIS A 82 25.503 11.187 -16.098 1.00 4.53 H new ATOM 1379 N HIS A 83 24.024 16.200 -14.596 1.00 74.34 N ATOM 1380 CA HIS A 83 23.913 16.520 -16.031 1.00 42.11 C ATOM 1381 C HIS A 83 25.032 15.783 -16.786 1.00 64.21 C ATOM 1382 O HIS A 83 25.900 15.158 -16.158 1.00 52.42 O ATOM 1383 CB HIS A 83 24.025 18.055 -16.259 1.00 71.31 C ATOM 1384 CG HIS A 83 23.047 18.876 -15.462 1.00 32.51 C ATOM 1385 ND1 HIS A 83 21.843 19.312 -15.969 1.00 70.33 N ATOM 1386 CD2 HIS A 83 23.106 19.350 -14.194 1.00 3.02 C ATOM 1387 CE1 HIS A 83 21.214 20.019 -15.056 1.00 50.42 C ATOM 1388 NE2 HIS A 83 21.955 20.055 -13.967 1.00 34.03 N ATOM 0 H HIS A 83 24.747 16.738 -14.118 1.00 74.34 H new ATOM 0 HA HIS A 83 22.941 16.197 -16.404 1.00 42.11 H new ATOM 0 HB2 HIS A 83 25.037 18.374 -16.009 1.00 71.31 H new ATOM 0 HB3 HIS A 83 23.877 18.264 -17.319 1.00 71.31 H new ATOM 0 HD2 HIS A 83 23.913 19.199 -13.492 1.00 3.02 H new ATOM 0 HE1 HIS A 83 20.251 20.491 -15.178 1.00 50.42 H new ATOM 0 HE2 HIS A 83 21.711 20.530 -13.098 1.00 34.03 H new ATOM 1397 N HIS A 84 25.009 15.841 -18.126 1.00 52.43 N ATOM 1398 CA HIS A 84 26.077 15.252 -18.961 1.00 25.44 C ATOM 1399 C HIS A 84 27.222 16.283 -19.165 1.00 44.03 C ATOM 1400 O HIS A 84 28.065 16.400 -18.277 1.00 4.53 O ATOM 1401 CB HIS A 84 25.498 14.697 -20.290 1.00 42.00 C ATOM 1402 CG HIS A 84 24.597 13.502 -20.094 1.00 50.33 C ATOM 1403 ND1 HIS A 84 23.423 13.306 -20.789 1.00 14.32 N ATOM 1404 CD2 HIS A 84 24.721 12.427 -19.276 1.00 0.32 C ATOM 1405 CE1 HIS A 84 22.875 12.171 -20.409 1.00 53.13 C ATOM 1406 NE2 HIS A 84 23.641 11.619 -19.497 1.00 73.50 N ATOM 0 H HIS A 84 24.264 16.289 -18.659 1.00 52.43 H new ATOM 0 HA HIS A 84 26.513 14.395 -18.447 1.00 25.44 H new ATOM 0 HB2 HIS A 84 24.939 15.486 -20.793 1.00 42.00 H new ATOM 0 HB3 HIS A 84 26.321 14.419 -20.949 1.00 42.00 H new ATOM 0 HD2 HIS A 84 25.525 12.243 -18.579 1.00 0.32 H new ATOM 0 HE1 HIS A 84 21.949 11.762 -20.785 1.00 53.13 H new ATOM 0 HE2 HIS A 84 23.460 10.731 -19.029 1.00 73.50 H new ATOM 1415 N HIS A 85 27.234 17.036 -20.297 1.00 23.42 N ATOM 1416 CA HIS A 85 28.207 18.141 -20.552 1.00 44.12 C ATOM 1417 C HIS A 85 27.623 19.073 -21.642 1.00 20.42 C ATOM 1418 O HIS A 85 27.684 18.715 -22.835 1.00 24.41 O ATOM 1419 CB HIS A 85 29.638 17.623 -20.975 1.00 5.41 C ATOM 1420 CG HIS A 85 30.500 17.153 -19.830 1.00 70.04 C ATOM 1421 ND1 HIS A 85 30.931 15.851 -19.686 1.00 52.44 N ATOM 1422 CD2 HIS A 85 31.004 17.823 -18.763 1.00 73.01 C ATOM 1423 CE1 HIS A 85 31.641 15.741 -18.584 1.00 52.30 C ATOM 1424 NE2 HIS A 85 31.702 16.923 -18.003 1.00 63.13 N ATOM 1425 OXT HIS A 85 27.095 20.150 -21.304 1.00 36.33 O ATOM 0 H HIS A 85 26.571 16.897 -21.060 1.00 23.42 H new ATOM 0 HA HIS A 85 28.350 18.684 -19.618 1.00 44.12 H new ATOM 0 HB2 HIS A 85 29.518 16.803 -21.683 1.00 5.41 H new ATOM 0 HB3 HIS A 85 30.159 18.424 -21.500 1.00 5.41 H new ATOM 0 HD2 HIS A 85 30.878 18.875 -18.552 1.00 73.01 H new ATOM 0 HE1 HIS A 85 32.098 14.834 -18.217 1.00 52.30 H new ATOM 0 HE2 HIS A 85 32.189 17.132 -17.131 1.00 63.13 H new TER 1434 HIS A 85