USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -0.939 K(o=-1.9,f=-10!) USER MOD Set 1.2: A 97 THR OG1 : rot -175:sc= -0.939 USER MOD Set 2.1: A 24 SER OG : rot -124:sc= 2.31 USER MOD Set 2.2: A 28 TYR OH : rot 99:sc= 1 USER MOD Set 2.3: A 81 ASN : amide:sc= -1.94! C(o=5.1!,f=-3.6!) USER MOD Set 2.4: A 83 TYR OH : rot -146:sc= 1.55 USER MOD Set 2.5: A 89 TYR OH : rot 176:sc= 0.48 USER MOD Set 2.6: A 92 THR OG1 : rot -40:sc= 1.69 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.904 X(o=-0.9,f=-1.1) USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 75 ASN :FLIP amide:sc= -0.68 F(o=-2.4,f=-0.69) USER MOD Set 4.2: A 77 ASN : amide:sc=-0.00573 K(o=-0.69,f=-1.6) USER MOD Set 5.1: A 29 ASN : amide:sc= -16.7! C(o=-20!,f=-20!) USER MOD Set 5.2: A 72 ASN : amide:sc= -3.07 K(o=-20,f=-21!) USER MOD Set 6.1: A 9 ASN : amide:sc= -2.68! C(o=-1.9!,f=-5.2!) USER MOD Set 6.2: A 66 TYR OH : rot 26:sc= 0.758 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00341 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 3 MET CE :methyl 161:sc= -0.112 (180deg=-0.539) USER MOD Single : A 4 SER OG : rot -13:sc= 0.601 USER MOD Single : A 6 SER OG : rot -160:sc= 0.551 USER MOD Single : A 10 MET CE :methyl 151:sc= -0.235 (180deg=-2.01!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 150:sc= 0.00232 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.298 K(o=-0.3,f=-0.95) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -32:sc= 0.134 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.467 F(o=-5.4!,f=-0.47) USER MOD Single : A 38 ASN : amide:sc= 0.874 K(o=0.87,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0119 F(o=-1.5,f=-0.012) USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.0493 USER MOD Single : A 55 SER OG : rot -79:sc= -0.435 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 32:sc= -0.411! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -75:sc= -3.23! USER MOD Single : A 96 LYS NZ :NH3+ -117:sc= 0.00127 (180deg=0) USER MOD Single : A 99 TYR OH : rot -161:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -0.472 K(o=-0.47,f=-3.4!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 30:sc= -2.27! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.589 -5.920 -10.199 1.00 9.37 N ATOM 2 CA GLY A 1 -16.853 -4.743 -9.338 1.00 8.59 C ATOM 3 C GLY A 1 -16.836 -3.454 -10.130 1.00 7.91 C ATOM 4 O GLY A 1 -15.988 -3.268 -11.002 1.00 8.10 O ATOM 0 H1 GLY A 1 -16.102 -6.653 -9.645 1.00 9.37 H new ATOM 0 H2 GLY A 1 -17.490 -6.297 -10.557 1.00 9.37 H new ATOM 0 H3 GLY A 1 -15.990 -5.636 -11.000 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -17.822 -4.858 -8.851 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -16.103 -4.695 -8.548 1.00 8.59 H new ATOM 10 N HIS A 2 -17.769 -2.563 -9.832 1.00 7.42 N ATOM 11 CA HIS A 2 -17.878 -1.296 -10.541 1.00 7.06 C ATOM 12 C HIS A 2 -17.820 -0.141 -9.547 1.00 6.29 C ATOM 13 O HIS A 2 -18.833 0.482 -9.237 1.00 6.27 O ATOM 14 CB HIS A 2 -19.184 -1.260 -11.351 1.00 7.61 C ATOM 15 CG HIS A 2 -19.358 -0.037 -12.206 1.00 7.99 C ATOM 16 ND1 HIS A 2 -18.685 0.161 -13.391 1.00 8.53 N ATOM 17 CD2 HIS A 2 -20.147 1.052 -12.042 1.00 8.23 C ATOM 18 CE1 HIS A 2 -19.049 1.315 -13.916 1.00 9.04 C ATOM 19 NE2 HIS A 2 -19.936 1.874 -13.118 1.00 8.89 N ATOM 0 H HIS A 2 -18.466 -2.695 -9.099 1.00 7.42 H new ATOM 0 HA HIS A 2 -17.043 -1.195 -11.234 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -19.224 -2.142 -11.990 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -20.025 -1.328 -10.661 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -20.818 1.238 -11.216 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -18.682 1.731 -14.843 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -20.392 2.773 -13.276 1.00 8.89 H new ATOM 28 N MET A 3 -16.628 0.128 -9.037 1.00 6.00 N ATOM 29 CA MET A 3 -16.441 1.195 -8.066 1.00 5.58 C ATOM 30 C MET A 3 -15.058 1.816 -8.200 1.00 4.91 C ATOM 31 O MET A 3 -14.133 1.192 -8.723 1.00 5.15 O ATOM 32 CB MET A 3 -16.676 0.686 -6.632 1.00 6.12 C ATOM 33 CG MET A 3 -16.055 -0.675 -6.316 1.00 6.74 C ATOM 34 SD MET A 3 -14.248 -0.669 -6.286 1.00 7.54 S ATOM 35 CE MET A 3 -13.915 0.459 -4.933 1.00 8.13 C ATOM 0 H MET A 3 -15.776 -0.378 -9.279 1.00 6.00 H new ATOM 0 HA MET A 3 -17.181 1.968 -8.273 1.00 5.58 H new ATOM 0 HB2 MET A 3 -16.277 1.421 -5.933 1.00 6.12 H new ATOM 0 HB3 MET A 3 -17.750 0.628 -6.455 1.00 6.12 H new ATOM 0 HG2 MET A 3 -16.423 -1.015 -5.348 1.00 6.74 H new ATOM 0 HG3 MET A 3 -16.393 -1.398 -7.058 1.00 6.74 H new ATOM 0 HE1 MET A 3 -12.896 0.310 -4.577 1.00 8.13 H new ATOM 0 HE2 MET A 3 -14.032 1.486 -5.278 1.00 8.13 H new ATOM 0 HE3 MET A 3 -14.615 0.268 -4.119 1.00 8.13 H new ATOM 45 N SER A 4 -14.941 3.063 -7.772 1.00 4.47 N ATOM 46 CA SER A 4 -13.672 3.771 -7.777 1.00 4.12 C ATOM 47 C SER A 4 -13.696 4.879 -6.730 1.00 2.93 C ATOM 48 O SER A 4 -13.106 4.734 -5.659 1.00 3.19 O ATOM 49 CB SER A 4 -13.388 4.363 -9.161 1.00 5.00 C ATOM 50 OG SER A 4 -13.429 3.361 -10.166 1.00 5.76 O ATOM 0 H SER A 4 -15.722 3.612 -7.412 1.00 4.47 H new ATOM 0 HA SER A 4 -12.878 3.064 -7.536 1.00 4.12 H new ATOM 0 HB2 SER A 4 -14.121 5.137 -9.386 1.00 5.00 H new ATOM 0 HB3 SER A 4 -12.409 4.842 -9.161 1.00 5.00 H new ATOM 0 HG SER A 4 -13.422 2.476 -9.746 1.00 5.76 H new ATOM 56 N ARG A 5 -14.418 5.964 -7.031 1.00 2.17 N ATOM 57 CA ARG A 5 -14.486 7.128 -6.147 1.00 1.45 C ATOM 58 C ARG A 5 -13.088 7.604 -5.765 1.00 1.37 C ATOM 59 O ARG A 5 -12.109 7.340 -6.468 1.00 2.25 O ATOM 60 CB ARG A 5 -15.260 6.792 -4.872 1.00 2.10 C ATOM 61 CG ARG A 5 -16.717 6.435 -5.093 1.00 2.57 C ATOM 62 CD ARG A 5 -17.421 6.242 -3.763 1.00 3.37 C ATOM 63 NE ARG A 5 -17.302 7.430 -2.918 1.00 3.96 N ATOM 64 CZ ARG A 5 -17.404 7.418 -1.589 1.00 4.93 C ATOM 65 NH1 ARG A 5 -17.662 6.288 -0.944 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -17.253 8.543 -0.905 1.00 5.73 N ATOM 0 H ARG A 5 -14.966 6.058 -7.886 1.00 2.17 H new ATOM 0 HA ARG A 5 -15.001 7.921 -6.689 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -14.767 5.958 -4.373 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -15.207 7.645 -4.195 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -17.209 7.224 -5.661 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -16.789 5.523 -5.686 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -18.474 6.021 -3.936 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -16.995 5.382 -3.246 1.00 3.37 H new ATOM 0 HE ARG A 5 -17.130 8.325 -3.375 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -17.784 5.420 -1.465 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -17.738 6.287 0.073 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -17.059 9.416 -1.396 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -17.331 8.536 0.112 1.00 5.73 H new ATOM 80 N SER A 6 -13.009 8.329 -4.664 1.00 0.64 N ATOM 81 CA SER A 6 -11.739 8.668 -4.067 1.00 0.52 C ATOM 82 C SER A 6 -11.893 8.720 -2.562 1.00 0.51 C ATOM 83 O SER A 6 -12.520 9.628 -2.013 1.00 0.73 O ATOM 84 CB SER A 6 -11.217 10.007 -4.594 1.00 0.63 C ATOM 85 OG SER A 6 -9.928 10.290 -4.070 1.00 1.52 O ATOM 0 H SER A 6 -13.820 8.695 -4.165 1.00 0.64 H new ATOM 0 HA SER A 6 -11.012 7.902 -4.336 1.00 0.52 H new ATOM 0 HB2 SER A 6 -11.174 9.982 -5.683 1.00 0.63 H new ATOM 0 HB3 SER A 6 -11.908 10.804 -4.321 1.00 0.63 H new ATOM 0 HG SER A 6 -9.747 11.250 -4.147 1.00 1.52 H new ATOM 91 N GLU A 7 -11.349 7.721 -1.905 1.00 0.54 N ATOM 92 CA GLU A 7 -11.460 7.607 -0.468 1.00 0.53 C ATOM 93 C GLU A 7 -10.087 7.635 0.186 1.00 0.44 C ATOM 94 O GLU A 7 -9.879 8.370 1.148 1.00 0.55 O ATOM 95 CB GLU A 7 -12.204 6.322 -0.124 1.00 0.56 C ATOM 96 CG GLU A 7 -13.658 6.370 -0.499 1.00 0.73 C ATOM 97 CD GLU A 7 -14.350 5.029 -0.384 1.00 1.22 C ATOM 98 OE1 GLU A 7 -14.810 4.499 -1.415 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.439 4.496 0.741 1.00 1.37 O1- ATOM 0 H GLU A 7 -10.821 6.969 -2.348 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.021 8.458 -0.082 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -11.729 5.485 -0.636 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -12.116 6.132 0.946 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -14.168 7.090 0.141 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -13.750 6.732 -1.523 1.00 0.73 H new ATOM 106 N VAL A 8 -9.148 6.865 -0.373 1.00 0.30 N ATOM 107 CA VAL A 8 -7.802 6.731 0.188 1.00 0.24 C ATOM 108 C VAL A 8 -7.878 6.322 1.657 1.00 0.19 C ATOM 109 O VAL A 8 -7.919 7.157 2.564 1.00 0.28 O ATOM 110 CB VAL A 8 -6.962 8.013 0.046 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.528 7.773 0.496 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.002 8.529 -1.386 1.00 0.45 C ATOM 0 H VAL A 8 -9.299 6.320 -1.222 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.301 5.954 -0.389 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.395 8.776 0.693 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.954 8.693 0.387 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.522 7.463 1.541 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.080 6.991 -0.117 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.402 9.435 -1.463 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.601 7.770 -2.058 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.032 8.751 -1.664 1.00 0.45 H new ATOM 122 N ASN A 9 -7.864 5.029 1.868 1.00 0.15 N ATOM 123 CA ASN A 9 -8.232 4.438 3.137 1.00 0.22 C ATOM 124 C ASN A 9 -7.332 3.230 3.414 1.00 0.16 C ATOM 125 O ASN A 9 -6.759 2.669 2.481 1.00 0.15 O ATOM 126 CB ASN A 9 -9.708 4.057 3.005 1.00 0.41 C ATOM 127 CG ASN A 9 -10.241 3.108 4.047 1.00 0.42 C ATOM 128 OD1 ASN A 9 -9.893 3.173 5.226 1.00 1.41 O ATOM 129 ND2 ASN A 9 -11.093 2.206 3.597 1.00 0.96 N ATOM 0 H ASN A 9 -7.595 4.348 1.158 1.00 0.15 H new ATOM 0 HA ASN A 9 -8.100 5.116 3.980 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -10.303 4.970 3.036 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.861 3.610 2.023 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.495 1.521 4.236 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -11.349 2.194 2.610 1.00 0.96 H new ATOM 136 N MET A 10 -7.167 2.863 4.686 1.00 0.15 N ATOM 137 CA MET A 10 -6.358 1.692 5.053 1.00 0.12 C ATOM 138 C MET A 10 -7.246 0.449 5.147 1.00 0.08 C ATOM 139 O MET A 10 -6.782 -0.685 5.226 1.00 0.09 O ATOM 140 CB MET A 10 -5.616 1.943 6.358 1.00 0.18 C ATOM 141 CG MET A 10 -4.687 3.145 6.296 1.00 0.39 C ATOM 142 SD MET A 10 -3.332 2.934 5.144 1.00 0.89 S ATOM 143 CE MET A 10 -2.565 4.537 5.251 1.00 0.24 C ATOM 0 H MET A 10 -7.579 3.355 5.479 1.00 0.15 H new ATOM 0 HA MET A 10 -5.612 1.519 4.277 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.341 2.093 7.158 1.00 0.18 H new ATOM 0 HB3 MET A 10 -5.036 1.057 6.615 1.00 0.18 H new ATOM 0 HG2 MET A 10 -5.262 4.026 6.012 1.00 0.39 H new ATOM 0 HG3 MET A 10 -4.283 3.335 7.290 1.00 0.39 H new ATOM 0 HE1 MET A 10 -1.498 4.444 5.046 1.00 0.24 H new ATOM 0 HE2 MET A 10 -3.018 5.207 4.520 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.708 4.943 6.253 1.00 0.24 H new ATOM 153 N GLY A 11 -8.526 0.751 5.138 1.00 0.10 N ATOM 154 CA GLY A 11 -9.654 -0.179 5.040 1.00 0.10 C ATOM 155 C GLY A 11 -9.860 -1.128 6.202 1.00 0.08 C ATOM 156 O GLY A 11 -11.002 -1.351 6.607 1.00 0.10 O ATOM 0 H GLY A 11 -8.839 1.720 5.203 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.566 0.405 4.913 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.527 -0.773 4.135 1.00 0.10 H new ATOM 160 N LEU A 12 -8.804 -1.643 6.778 1.00 0.07 N ATOM 161 CA LEU A 12 -8.901 -2.375 8.014 1.00 0.07 C ATOM 162 C LEU A 12 -7.978 -1.770 9.045 1.00 0.08 C ATOM 163 O LEU A 12 -7.178 -0.885 8.746 1.00 0.09 O ATOM 164 CB LEU A 12 -8.604 -3.851 7.804 1.00 0.08 C ATOM 165 CG LEU A 12 -9.500 -4.580 6.799 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.115 -6.037 6.716 1.00 0.09 C ATOM 167 CD2 LEU A 12 -10.977 -4.461 7.134 1.00 0.11 C ATOM 0 H LEU A 12 -7.857 -1.567 6.406 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.925 -2.302 8.382 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.569 -3.950 7.476 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.684 -4.358 8.766 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.345 -4.098 5.834 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.760 -6.543 5.998 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.077 -6.121 6.394 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.230 -6.500 7.696 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.564 -4.997 6.388 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.163 -4.891 8.118 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.266 -3.410 7.137 1.00 0.11 H new ATOM 179 N SER A 13 -8.097 -2.251 10.253 1.00 0.10 N ATOM 180 CA SER A 13 -7.229 -1.853 11.318 1.00 0.12 C ATOM 181 C SER A 13 -6.118 -2.878 11.513 1.00 0.13 C ATOM 182 O SER A 13 -6.376 -4.018 11.899 1.00 0.16 O ATOM 183 CB SER A 13 -8.072 -1.713 12.569 1.00 0.15 C ATOM 184 OG SER A 13 -8.716 -0.452 12.615 1.00 1.20 O ATOM 0 H SER A 13 -8.805 -2.934 10.523 1.00 0.10 H new ATOM 0 HA SER A 13 -6.748 -0.903 11.086 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.819 -2.507 12.598 1.00 0.15 H new ATOM 0 HB3 SER A 13 -7.442 -1.835 13.450 1.00 0.15 H new ATOM 0 HG SER A 13 -9.254 -0.389 13.431 1.00 1.20 H new ATOM 190 N SER A 14 -4.882 -2.467 11.245 1.00 0.13 N ATOM 191 CA SER A 14 -3.723 -3.336 11.417 1.00 0.14 C ATOM 192 C SER A 14 -3.332 -3.438 12.895 1.00 0.17 C ATOM 193 O SER A 14 -2.206 -3.800 13.238 1.00 0.19 O ATOM 194 CB SER A 14 -2.547 -2.809 10.592 1.00 0.16 C ATOM 195 OG SER A 14 -2.284 -1.449 10.891 1.00 0.20 O ATOM 0 H SER A 14 -4.657 -1.532 10.906 1.00 0.13 H new ATOM 0 HA SER A 14 -3.985 -4.334 11.066 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.659 -3.408 10.795 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.767 -2.915 9.530 1.00 0.16 H new ATOM 0 HG SER A 14 -1.329 -1.266 10.768 1.00 0.20 H new ATOM 201 N ALA A 15 -4.275 -3.121 13.762 1.00 0.21 N ATOM 202 CA ALA A 15 -4.058 -3.189 15.191 1.00 0.26 C ATOM 203 C ALA A 15 -4.362 -4.584 15.712 1.00 0.28 C ATOM 204 O ALA A 15 -5.523 -4.952 15.878 1.00 0.35 O ATOM 205 CB ALA A 15 -4.919 -2.155 15.890 1.00 0.32 C ATOM 0 H ALA A 15 -5.209 -2.810 13.495 1.00 0.21 H new ATOM 0 HA ALA A 15 -3.010 -2.973 15.401 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.752 -2.210 16.966 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.655 -1.160 15.532 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.969 -2.351 15.675 1.00 0.32 H new ATOM 211 N GLY A 16 -3.316 -5.357 15.951 1.00 0.27 N ATOM 212 CA GLY A 16 -3.491 -6.712 16.429 1.00 0.31 C ATOM 213 C GLY A 16 -3.371 -7.727 15.315 1.00 0.26 C ATOM 214 O GLY A 16 -3.409 -8.931 15.553 1.00 0.31 O ATOM 0 H GLY A 16 -2.346 -5.070 15.822 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.745 -6.925 17.195 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.469 -6.806 16.901 1.00 0.31 H new ATOM 218 N VAL A 17 -3.230 -7.233 14.095 1.00 0.19 N ATOM 219 CA VAL A 17 -3.094 -8.083 12.930 1.00 0.15 C ATOM 220 C VAL A 17 -1.693 -8.630 12.812 1.00 0.15 C ATOM 221 O VAL A 17 -0.724 -8.020 13.266 1.00 0.18 O ATOM 222 CB VAL A 17 -3.442 -7.308 11.647 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.400 -6.250 11.362 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.569 -8.247 10.472 1.00 0.11 C ATOM 0 H VAL A 17 -3.207 -6.234 13.888 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.789 -8.914 13.053 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.402 -6.816 11.801 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.665 -5.714 10.451 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.356 -5.549 12.195 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.426 -6.723 11.234 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.815 -7.677 9.576 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.625 -8.771 10.321 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.359 -8.972 10.669 1.00 0.11 H new ATOM 234 N ALA A 18 -1.600 -9.792 12.206 1.00 0.14 N ATOM 235 CA ALA A 18 -0.320 -10.385 11.943 1.00 0.14 C ATOM 236 C ALA A 18 0.140 -10.017 10.545 1.00 0.13 C ATOM 237 O ALA A 18 0.136 -10.835 9.624 1.00 0.13 O ATOM 238 CB ALA A 18 -0.412 -11.884 12.118 1.00 0.16 C ATOM 0 H ALA A 18 -2.399 -10.341 11.888 1.00 0.14 H new ATOM 0 HA ALA A 18 0.417 -10.004 12.650 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.560 -12.334 11.918 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.715 -12.113 13.140 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.148 -12.287 11.422 1.00 0.16 H new ATOM 244 N VAL A 19 0.573 -8.782 10.416 1.00 0.12 N ATOM 245 CA VAL A 19 0.948 -8.228 9.124 1.00 0.11 C ATOM 246 C VAL A 19 2.403 -8.495 8.776 1.00 0.11 C ATOM 247 O VAL A 19 3.294 -8.376 9.618 1.00 0.12 O ATOM 248 CB VAL A 19 0.633 -6.716 9.054 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.903 -6.053 10.379 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.429 -6.034 7.959 1.00 0.11 C ATOM 0 H VAL A 19 0.676 -8.133 11.196 1.00 0.12 H new ATOM 0 HA VAL A 19 0.344 -8.742 8.376 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.426 -6.614 8.818 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.675 -4.990 10.307 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.277 -6.507 11.147 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.953 -6.182 10.643 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.183 -4.972 7.938 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.494 -6.156 8.154 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.183 -6.483 6.997 1.00 0.11 H new ATOM 260 N GLN A 20 2.627 -8.876 7.523 1.00 0.09 N ATOM 261 CA GLN A 20 3.960 -9.144 7.047 1.00 0.10 C ATOM 262 C GLN A 20 4.653 -7.853 6.648 1.00 0.10 C ATOM 263 O GLN A 20 4.472 -7.354 5.543 1.00 0.11 O ATOM 264 CB GLN A 20 3.896 -10.085 5.851 1.00 0.11 C ATOM 265 CG GLN A 20 3.086 -11.341 6.108 1.00 0.13 C ATOM 266 CD GLN A 20 3.096 -12.300 4.942 1.00 0.24 C ATOM 267 OE1 GLN A 20 4.031 -12.328 4.144 1.00 0.66 O ATOM 268 NE2 GLN A 20 2.055 -13.101 4.847 1.00 0.48 N ATOM 0 H GLN A 20 1.894 -9.004 6.825 1.00 0.09 H new ATOM 0 HA GLN A 20 4.531 -9.612 7.849 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.465 -9.552 5.003 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.910 -10.368 5.568 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.480 -11.846 6.990 1.00 0.13 H new ATOM 0 HG3 GLN A 20 2.056 -11.063 6.333 1.00 0.13 H new ATOM 0 HE21 GLN A 20 1.302 -13.042 5.533 1.00 0.48 H new ATOM 0 HE22 GLN A 20 2.002 -13.780 4.088 1.00 0.48 H new ATOM 277 N ARG A 21 5.505 -7.363 7.523 1.00 0.10 N ATOM 278 CA ARG A 21 6.236 -6.140 7.268 1.00 0.12 C ATOM 279 C ARG A 21 7.594 -6.454 6.669 1.00 0.14 C ATOM 280 O ARG A 21 8.106 -5.709 5.838 1.00 0.16 O ATOM 281 CB ARG A 21 6.405 -5.364 8.566 1.00 0.13 C ATOM 282 CG ARG A 21 5.135 -5.308 9.397 1.00 0.16 C ATOM 283 CD ARG A 21 4.813 -3.889 9.815 1.00 0.33 C ATOM 284 NE ARG A 21 3.669 -3.820 10.723 1.00 0.40 N ATOM 285 CZ ARG A 21 2.709 -2.895 10.656 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.691 -2.013 9.663 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.749 -2.875 11.570 1.00 0.62 N ATOM 0 H ARG A 21 5.709 -7.796 8.423 1.00 0.10 H new ATOM 0 HA ARG A 21 5.675 -5.533 6.558 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.198 -5.823 9.156 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.726 -4.348 8.336 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.304 -5.718 8.823 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.249 -5.933 10.283 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.685 -3.449 10.300 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.606 -3.290 8.928 1.00 0.33 H new ATOM 0 HE ARG A 21 3.600 -4.526 11.456 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.414 -2.039 8.944 1.00 0.84 H new ATOM 0 HH12 ARG A 21 1.954 -1.309 9.619 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.746 -3.565 12.321 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.014 -2.170 11.522 1.00 0.62 H new ATOM 301 N SER A 22 8.160 -7.580 7.079 1.00 0.18 N ATOM 302 CA SER A 22 9.454 -8.007 6.575 1.00 0.21 C ATOM 303 C SER A 22 9.325 -8.468 5.130 1.00 0.19 C ATOM 304 O SER A 22 10.312 -8.591 4.403 1.00 0.28 O ATOM 305 CB SER A 22 10.008 -9.129 7.444 1.00 0.28 C ATOM 306 OG SER A 22 11.320 -9.494 7.048 1.00 0.89 O ATOM 0 H SER A 22 7.742 -8.214 7.760 1.00 0.18 H new ATOM 0 HA SER A 22 10.145 -7.165 6.611 1.00 0.21 H new ATOM 0 HB2 SER A 22 10.017 -8.812 8.487 1.00 0.28 H new ATOM 0 HB3 SER A 22 9.353 -9.998 7.380 1.00 0.28 H new ATOM 0 HG SER A 22 11.647 -10.215 7.626 1.00 0.89 H new ATOM 312 N ALA A 23 8.088 -8.706 4.726 1.00 0.14 N ATOM 313 CA ALA A 23 7.783 -9.170 3.387 1.00 0.14 C ATOM 314 C ALA A 23 7.630 -8.001 2.423 1.00 0.13 C ATOM 315 O ALA A 23 7.315 -8.189 1.250 1.00 0.17 O ATOM 316 CB ALA A 23 6.510 -9.996 3.422 1.00 0.17 C ATOM 0 H ALA A 23 7.268 -8.582 5.320 1.00 0.14 H new ATOM 0 HA ALA A 23 8.609 -9.786 3.031 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.276 -10.347 2.417 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.650 -10.852 4.082 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.688 -9.383 3.792 1.00 0.17 H new ATOM 322 N SER A 24 7.867 -6.800 2.923 1.00 0.14 N ATOM 323 CA SER A 24 7.673 -5.588 2.145 1.00 0.15 C ATOM 324 C SER A 24 8.765 -5.410 1.093 1.00 0.15 C ATOM 325 O SER A 24 9.935 -5.726 1.323 1.00 0.26 O ATOM 326 CB SER A 24 7.630 -4.382 3.081 1.00 0.17 C ATOM 327 OG SER A 24 7.536 -3.167 2.362 1.00 0.21 O ATOM 0 H SER A 24 8.197 -6.638 3.874 1.00 0.14 H new ATOM 0 HA SER A 24 6.725 -5.672 1.614 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.778 -4.474 3.754 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.526 -4.370 3.701 1.00 0.17 H new ATOM 0 HG SER A 24 8.275 -2.577 2.619 1.00 0.21 H new ATOM 333 N ARG A 25 8.361 -4.917 -0.070 1.00 0.12 N ATOM 334 CA ARG A 25 9.272 -4.650 -1.161 1.00 0.12 C ATOM 335 C ARG A 25 9.987 -3.324 -1.002 1.00 0.13 C ATOM 336 O ARG A 25 10.977 -3.065 -1.682 1.00 0.18 O ATOM 337 CB ARG A 25 8.506 -4.664 -2.472 1.00 0.17 C ATOM 338 CG ARG A 25 8.420 -6.036 -3.095 1.00 0.27 C ATOM 339 CD ARG A 25 9.801 -6.556 -3.429 1.00 0.41 C ATOM 340 NE ARG A 25 10.469 -7.155 -2.273 1.00 1.10 N ATOM 341 CZ ARG A 25 11.779 -7.385 -2.201 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.561 -7.115 -3.237 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 12.302 -7.913 -1.102 1.00 2.10 N ATOM 0 H ARG A 25 7.388 -4.692 -0.278 1.00 0.12 H new ATOM 0 HA ARG A 25 10.032 -5.432 -1.156 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.498 -4.286 -2.301 1.00 0.17 H new ATOM 0 HB3 ARG A 25 8.987 -3.983 -3.174 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.923 -6.722 -2.409 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.813 -5.993 -3.999 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.724 -7.297 -4.224 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.411 -5.738 -3.813 1.00 0.41 H new ATOM 0 HE ARG A 25 9.894 -7.413 -1.471 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.160 -6.730 -4.092 1.00 1.30 H new ATOM 0 HH12 ARG A 25 13.564 -7.292 -3.179 1.00 1.30 H new ATOM 0 HH21 ARG A 25 11.701 -8.143 -0.311 1.00 2.10 H new ATOM 0 HH22 ARG A 25 13.305 -8.089 -1.048 1.00 2.10 H new ATOM 357 N VAL A 26 9.479 -2.481 -0.123 1.00 0.12 N ATOM 358 CA VAL A 26 10.069 -1.172 0.103 1.00 0.12 C ATOM 359 C VAL A 26 10.258 -0.956 1.601 1.00 0.13 C ATOM 360 O VAL A 26 9.550 -1.553 2.408 1.00 0.13 O ATOM 361 CB VAL A 26 9.189 -0.056 -0.513 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.827 1.309 -0.328 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.946 -0.326 -1.993 1.00 0.12 C ATOM 0 H VAL A 26 8.657 -2.678 0.448 1.00 0.12 H new ATOM 0 HA VAL A 26 11.041 -1.128 -0.388 1.00 0.12 H new ATOM 0 HB VAL A 26 8.232 -0.058 0.008 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.187 2.073 -0.770 1.00 0.11 H new ATOM 0 HG12 VAL A 26 9.951 1.511 0.736 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.801 1.325 -0.817 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.326 0.467 -2.411 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.900 -0.356 -2.519 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.438 -1.283 -2.110 1.00 0.12 H new ATOM 373 N ALA A 27 11.223 -0.128 1.976 1.00 0.13 N ATOM 374 CA ALA A 27 11.597 0.010 3.374 1.00 0.13 C ATOM 375 C ALA A 27 10.553 0.747 4.197 1.00 0.12 C ATOM 376 O ALA A 27 10.081 1.811 3.832 1.00 0.11 O ATOM 377 CB ALA A 27 12.933 0.696 3.520 1.00 0.14 C ATOM 0 H ALA A 27 11.759 0.456 1.334 1.00 0.13 H new ATOM 0 HA ALA A 27 11.668 -1.006 3.763 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.183 0.784 4.577 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.700 0.111 3.013 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.882 1.690 3.076 1.00 0.14 H new ATOM 383 N TYR A 28 10.264 0.160 5.327 1.00 0.13 N ATOM 384 CA TYR A 28 9.329 0.637 6.322 1.00 0.13 C ATOM 385 C TYR A 28 9.809 1.875 7.061 1.00 0.13 C ATOM 386 O TYR A 28 9.728 1.920 8.287 1.00 0.16 O ATOM 387 CB TYR A 28 8.989 -0.474 7.294 1.00 0.15 C ATOM 388 CG TYR A 28 7.545 -0.899 7.201 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.546 -0.187 7.845 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.187 -2.030 6.477 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.227 -0.589 7.769 1.00 0.14 C ATOM 392 CE2 TYR A 28 5.871 -2.437 6.396 1.00 0.14 C ATOM 393 CZ TYR A 28 4.880 -1.648 7.015 1.00 0.14 C ATOM 394 OH TYR A 28 3.588 -2.115 6.958 1.00 0.16 O ATOM 0 H TYR A 28 10.701 -0.721 5.599 1.00 0.13 H new ATOM 0 HA TYR A 28 8.430 0.940 5.786 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.631 -1.333 7.098 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.202 -0.142 8.310 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.802 0.694 8.414 1.00 0.13 H new ATOM 0 HD2 TYR A 28 7.951 -2.600 5.969 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.469 -0.050 8.318 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.606 -3.342 5.869 1.00 0.14 H new ATOM 0 HH TYR A 28 3.152 -1.773 6.150 1.00 0.16 H new ATOM 404 N ASN A 29 10.340 2.862 6.346 1.00 0.13 N ATOM 405 CA ASN A 29 11.205 3.865 6.964 1.00 0.15 C ATOM 406 C ASN A 29 10.404 4.750 7.913 1.00 0.15 C ATOM 407 O ASN A 29 9.770 5.722 7.529 1.00 0.14 O ATOM 408 CB ASN A 29 11.899 4.754 5.890 1.00 0.15 C ATOM 409 CG ASN A 29 10.980 5.386 4.849 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.443 5.874 3.820 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.689 5.401 5.099 1.00 0.12 N ATOM 0 H ASN A 29 10.189 2.990 5.345 1.00 0.13 H new ATOM 0 HA ASN A 29 11.973 3.333 7.525 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.439 5.551 6.401 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.641 4.148 5.370 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.045 5.825 4.431 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.332 4.989 5.961 1.00 0.12 H new ATOM 418 N GLN A 30 10.457 4.402 9.190 1.00 0.18 N ATOM 419 CA GLN A 30 9.635 5.052 10.191 1.00 0.19 C ATOM 420 C GLN A 30 9.978 6.534 10.295 1.00 0.21 C ATOM 421 O GLN A 30 9.265 7.302 10.925 1.00 0.24 O ATOM 422 CB GLN A 30 9.784 4.364 11.546 1.00 0.23 C ATOM 423 CG GLN A 30 8.660 4.695 12.501 1.00 0.26 C ATOM 424 CD GLN A 30 7.314 4.221 12.017 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.193 3.197 11.344 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.299 4.992 12.339 1.00 0.29 N ATOM 0 H GLN A 30 11.065 3.669 9.555 1.00 0.18 H new ATOM 0 HA GLN A 30 8.594 4.967 9.881 1.00 0.19 H new ATOM 0 HB2 GLN A 30 9.822 3.285 11.398 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.733 4.658 11.994 1.00 0.23 H new ATOM 0 HG2 GLN A 30 8.870 4.244 13.471 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.626 5.774 12.652 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.453 5.830 12.899 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.358 4.752 12.029 1.00 0.29 H new ATOM 435 N SER A 31 11.066 6.925 9.660 1.00 0.20 N ATOM 436 CA SER A 31 11.446 8.322 9.570 1.00 0.21 C ATOM 437 C SER A 31 10.578 9.035 8.535 1.00 0.21 C ATOM 438 O SER A 31 10.086 10.131 8.786 1.00 0.30 O ATOM 439 CB SER A 31 12.929 8.444 9.204 1.00 0.23 C ATOM 440 OG SER A 31 13.348 9.798 9.168 1.00 1.11 O ATOM 0 H SER A 31 11.710 6.286 9.193 1.00 0.20 H new ATOM 0 HA SER A 31 11.290 8.795 10.540 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.530 7.896 9.930 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.104 7.983 8.232 1.00 0.23 H new ATOM 0 HG SER A 31 14.299 9.840 8.933 1.00 1.11 H new ATOM 446 N ALA A 32 10.358 8.394 7.384 1.00 0.15 N ATOM 447 CA ALA A 32 9.505 8.970 6.349 1.00 0.14 C ATOM 448 C ALA A 32 8.058 8.722 6.712 1.00 0.14 C ATOM 449 O ALA A 32 7.168 9.493 6.365 1.00 0.15 O ATOM 450 CB ALA A 32 9.813 8.385 4.974 1.00 0.12 C ATOM 0 H ALA A 32 10.756 7.485 7.149 1.00 0.15 H new ATOM 0 HA ALA A 32 9.699 10.041 6.295 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.158 8.839 4.230 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.852 8.590 4.716 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.650 7.307 4.992 1.00 0.12 H new ATOM 456 N ILE A 33 7.848 7.639 7.439 1.00 0.14 N ATOM 457 CA ILE A 33 6.532 7.281 7.926 1.00 0.16 C ATOM 458 C ILE A 33 6.066 8.295 8.959 1.00 0.19 C ATOM 459 O ILE A 33 4.909 8.711 8.978 1.00 0.22 O ATOM 460 CB ILE A 33 6.551 5.896 8.574 1.00 0.16 C ATOM 461 CG1 ILE A 33 6.868 4.820 7.536 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.237 5.619 9.264 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.018 3.435 8.129 1.00 0.15 C ATOM 0 H ILE A 33 8.584 6.986 7.707 1.00 0.14 H new ATOM 0 HA ILE A 33 5.850 7.272 7.076 1.00 0.16 H new ATOM 0 HB ILE A 33 7.339 5.875 9.327 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.075 4.803 6.788 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.789 5.086 7.018 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.267 4.629 9.720 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.066 6.369 10.036 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.428 5.658 8.535 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.242 2.722 7.336 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.830 3.436 8.856 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.090 3.148 8.623 1.00 0.15 H new ATOM 475 N ASP A 34 6.995 8.688 9.815 1.00 0.20 N ATOM 476 CA ASP A 34 6.724 9.664 10.849 1.00 0.24 C ATOM 477 C ASP A 34 6.771 11.054 10.242 1.00 0.25 C ATOM 478 O ASP A 34 6.367 12.047 10.843 1.00 0.29 O ATOM 479 CB ASP A 34 7.753 9.521 11.968 1.00 0.26 C ATOM 480 CG ASP A 34 7.570 10.520 13.093 1.00 0.78 C ATOM 481 OD1 ASP A 34 8.476 11.350 13.312 1.00 1.54 O ATOM 482 OD2 ASP A 34 6.502 10.504 13.737 1.00 1.41 O1- ATOM 0 H ASP A 34 7.953 8.339 9.810 1.00 0.20 H new ATOM 0 HA ASP A 34 5.733 9.500 11.273 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.695 8.512 12.376 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.752 9.638 11.548 1.00 0.26 H new ATOM 487 N ASP A 35 7.261 11.085 9.018 1.00 0.22 N ATOM 488 CA ASP A 35 7.315 12.288 8.212 1.00 0.24 C ATOM 489 C ASP A 35 6.048 12.375 7.368 1.00 0.24 C ATOM 490 O ASP A 35 6.012 13.042 6.337 1.00 0.25 O ATOM 491 CB ASP A 35 8.560 12.301 7.332 1.00 0.23 C ATOM 492 CG ASP A 35 8.910 13.687 6.833 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.582 14.013 5.678 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.530 14.460 7.596 1.00 0.48 O1- ATOM 0 H ASP A 35 7.639 10.262 8.549 1.00 0.22 H new ATOM 0 HA ASP A 35 7.374 13.158 8.866 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.402 11.899 7.895 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.403 11.641 6.479 1.00 0.23 H new ATOM 499 N SER A 36 5.046 11.595 7.780 1.00 0.25 N ATOM 500 CA SER A 36 3.752 11.472 7.098 1.00 0.27 C ATOM 501 C SER A 36 3.150 12.821 6.679 1.00 0.30 C ATOM 502 O SER A 36 2.201 12.860 5.892 1.00 0.37 O ATOM 503 CB SER A 36 2.764 10.736 8.005 1.00 0.35 C ATOM 504 OG SER A 36 1.607 10.335 7.290 1.00 1.47 O ATOM 0 H SER A 36 5.112 11.017 8.618 1.00 0.25 H new ATOM 0 HA SER A 36 3.935 10.910 6.182 1.00 0.27 H new ATOM 0 HB2 SER A 36 3.248 9.861 8.438 1.00 0.35 H new ATOM 0 HB3 SER A 36 2.476 11.383 8.833 1.00 0.35 H new ATOM 0 HG SER A 36 1.418 10.985 6.582 1.00 1.47 H new ATOM 510 N ASN A 37 3.682 13.914 7.206 1.00 0.29 N ATOM 511 CA ASN A 37 3.269 15.246 6.790 1.00 0.31 C ATOM 512 C ASN A 37 3.599 15.504 5.320 1.00 0.30 C ATOM 513 O ASN A 37 3.106 16.460 4.726 1.00 0.34 O ATOM 514 CB ASN A 37 3.898 16.328 7.684 1.00 0.34 C ATOM 515 CG ASN A 37 5.424 16.271 7.790 1.00 0.49 C ATOM 516 OD1 ASN A 37 6.114 15.901 6.718 1.00 0.97 O flip ATOM 517 ND2 ASN A 37 5.983 16.584 8.840 1.00 0.30 N flip ATOM 0 H ASN A 37 4.404 13.904 7.926 1.00 0.29 H new ATOM 0 HA ASN A 37 2.186 15.297 6.903 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.612 17.307 7.300 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.476 16.242 8.685 1.00 0.34 H new ATOM 0 HD21 ASN A 37 5.429 16.865 9.649 1.00 0.30 H new ATOM 0 HD22 ASN A 37 7.001 16.563 8.902 1.00 0.30 H new ATOM 524 N ASN A 38 4.453 14.658 4.749 1.00 0.26 N ATOM 525 CA ASN A 38 4.816 14.745 3.358 1.00 0.28 C ATOM 526 C ASN A 38 3.617 14.573 2.462 1.00 0.36 C ATOM 527 O ASN A 38 2.706 13.797 2.757 1.00 0.82 O ATOM 528 CB ASN A 38 5.812 13.650 3.028 1.00 0.21 C ATOM 529 CG ASN A 38 7.034 14.200 2.362 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.086 14.367 1.145 1.00 0.25 O ATOM 531 ND2 ASN A 38 8.028 14.475 3.165 1.00 0.25 N ATOM 0 H ASN A 38 4.908 13.894 5.249 1.00 0.26 H new ATOM 0 HA ASN A 38 5.247 15.732 3.189 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.098 13.130 3.942 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.342 12.914 2.376 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.900 14.847 2.788 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.932 14.317 4.168 1.00 0.25 H new ATOM 538 N SER A 39 3.631 15.274 1.350 1.00 0.29 N ATOM 539 CA SER A 39 2.667 15.023 0.313 1.00 0.31 C ATOM 540 C SER A 39 3.147 13.839 -0.505 1.00 0.21 C ATOM 541 O SER A 39 2.503 13.442 -1.472 1.00 0.21 O ATOM 542 CB SER A 39 2.477 16.235 -0.575 1.00 0.43 C ATOM 543 OG SER A 39 1.178 16.261 -1.147 1.00 1.39 O ATOM 0 H SER A 39 4.298 16.018 1.145 1.00 0.29 H new ATOM 0 HA SER A 39 1.700 14.805 0.767 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.638 17.143 0.007 1.00 0.43 H new ATOM 0 HB3 SER A 39 3.225 16.228 -1.368 1.00 0.43 H new ATOM 0 HG SER A 39 1.086 17.055 -1.713 1.00 1.39 H new ATOM 549 N ALA A 40 4.291 13.263 -0.095 1.00 0.15 N ATOM 550 CA ALA A 40 4.776 12.038 -0.691 1.00 0.12 C ATOM 551 C ALA A 40 3.795 10.925 -0.410 1.00 0.11 C ATOM 552 O ALA A 40 3.813 9.894 -1.051 1.00 0.14 O ATOM 553 CB ALA A 40 6.147 11.679 -0.149 1.00 0.10 C ATOM 0 H ALA A 40 4.885 13.637 0.646 1.00 0.15 H new ATOM 0 HA ALA A 40 4.868 12.181 -1.768 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.491 10.754 -0.612 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.849 12.481 -0.376 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.087 11.544 0.931 1.00 0.10 H new ATOM 559 N TRP A 41 2.932 11.168 0.561 1.00 0.10 N ATOM 560 CA TRP A 41 1.959 10.190 0.990 1.00 0.10 C ATOM 561 C TRP A 41 0.605 10.406 0.320 1.00 0.12 C ATOM 562 O TRP A 41 -0.300 9.580 0.449 1.00 0.15 O ATOM 563 CB TRP A 41 1.809 10.273 2.496 1.00 0.10 C ATOM 564 CG TRP A 41 3.059 9.924 3.239 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.831 10.774 3.971 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.701 8.643 3.307 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.887 10.099 4.518 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.834 8.792 4.121 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.426 7.386 2.768 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.687 7.733 4.414 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.274 6.337 3.057 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.393 6.517 3.875 1.00 0.12 C ATOM 0 H TRP A 41 2.889 12.050 1.072 1.00 0.10 H new ATOM 0 HA TRP A 41 2.313 9.201 0.698 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.504 11.284 2.768 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.009 9.603 2.811 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.637 11.829 4.101 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.599 10.505 5.124 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.564 7.237 2.135 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.552 7.870 5.046 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.070 5.360 2.644 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.037 5.676 4.084 1.00 0.12 H new ATOM 583 N ASP A 42 0.460 11.527 -0.368 1.00 0.11 N ATOM 584 CA ASP A 42 -0.757 11.813 -1.109 1.00 0.14 C ATOM 585 C ASP A 42 -0.727 11.079 -2.433 1.00 0.15 C ATOM 586 O ASP A 42 0.036 11.428 -3.333 1.00 0.21 O ATOM 587 CB ASP A 42 -0.914 13.313 -1.347 1.00 0.21 C ATOM 588 CG ASP A 42 -2.079 13.634 -2.268 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.209 13.181 -1.989 1.00 0.50 O ATOM 590 OD2 ASP A 42 -1.873 14.348 -3.272 1.00 0.41 O1- ATOM 0 H ASP A 42 1.172 12.255 -0.428 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.609 11.473 -0.521 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.060 13.816 -0.391 1.00 0.21 H new ATOM 0 HB3 ASP A 42 0.006 13.708 -1.778 1.00 0.21 H new ATOM 595 N PHE A 43 -1.540 10.037 -2.519 1.00 0.11 N ATOM 596 CA PHE A 43 -1.623 9.228 -3.726 1.00 0.10 C ATOM 597 C PHE A 43 -2.030 10.082 -4.937 1.00 0.12 C ATOM 598 O PHE A 43 -1.247 10.292 -5.863 1.00 0.14 O ATOM 599 CB PHE A 43 -2.701 8.147 -3.582 1.00 0.09 C ATOM 600 CG PHE A 43 -2.479 7.086 -2.559 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.315 7.382 -1.224 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.449 5.767 -2.959 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.114 6.374 -0.307 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.252 4.762 -2.054 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.080 5.060 -0.728 1.00 0.06 C ATOM 0 H PHE A 43 -2.154 9.731 -1.764 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.637 8.788 -3.872 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.645 8.642 -3.354 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.821 7.661 -4.550 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.344 8.410 -0.894 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.583 5.524 -4.003 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.983 6.611 0.739 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.232 3.734 -2.384 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.918 4.267 -0.013 1.00 0.06 H new ATOM 615 N ALA A 44 -3.258 10.609 -4.860 1.00 0.13 N ATOM 616 CA ALA A 44 -3.875 11.432 -5.910 1.00 0.16 C ATOM 617 C ALA A 44 -5.386 11.516 -5.677 1.00 0.18 C ATOM 618 O ALA A 44 -5.841 12.137 -4.715 1.00 0.24 O ATOM 619 CB ALA A 44 -3.613 10.885 -7.313 1.00 0.16 C ATOM 0 H ALA A 44 -3.863 10.473 -4.050 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.421 12.421 -5.851 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.091 11.530 -8.050 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.539 10.856 -7.498 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.022 9.878 -7.393 1.00 0.16 H new ATOM 625 N ASP A 45 -6.154 10.847 -6.544 1.00 0.17 N ATOM 626 CA ASP A 45 -7.611 10.793 -6.430 1.00 0.20 C ATOM 627 C ASP A 45 -8.131 9.425 -6.869 1.00 0.16 C ATOM 628 O ASP A 45 -8.027 9.061 -8.039 1.00 0.19 O ATOM 629 CB ASP A 45 -8.266 11.889 -7.270 1.00 0.26 C ATOM 630 CG ASP A 45 -8.149 13.269 -6.649 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.276 14.051 -7.086 1.00 1.82 O ATOM 632 OD2 ASP A 45 -8.920 13.577 -5.715 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.782 10.330 -7.341 1.00 0.17 H new ATOM 0 HA ASP A 45 -7.871 10.955 -5.384 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.808 11.903 -8.259 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.320 11.649 -7.410 1.00 0.26 H new ATOM 637 N GLY A 46 -8.680 8.671 -5.912 1.00 0.17 N ATOM 638 CA GLY A 46 -9.147 7.304 -6.160 1.00 0.16 C ATOM 639 C GLY A 46 -8.080 6.423 -6.769 1.00 0.12 C ATOM 640 O GLY A 46 -8.370 5.396 -7.366 1.00 0.16 O ATOM 0 H GLY A 46 -8.812 8.988 -4.951 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.483 6.864 -5.221 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.010 7.335 -6.825 1.00 0.16 H new ATOM 644 N VAL A 47 -6.843 6.830 -6.574 1.00 0.08 N ATOM 645 CA VAL A 47 -5.682 6.128 -7.074 1.00 0.06 C ATOM 646 C VAL A 47 -5.483 4.861 -6.276 1.00 0.05 C ATOM 647 O VAL A 47 -5.222 3.797 -6.817 1.00 0.06 O ATOM 648 CB VAL A 47 -4.455 7.046 -6.963 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.648 7.994 -5.813 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.173 6.246 -6.820 1.00 0.09 C ATOM 0 H VAL A 47 -6.613 7.676 -6.052 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.823 5.858 -8.121 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.359 7.623 -7.883 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.780 8.647 -5.730 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.540 8.596 -5.984 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.764 7.427 -4.889 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.326 6.927 -6.744 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.226 5.631 -5.921 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.046 5.604 -7.692 1.00 0.09 H new ATOM 660 N LEU A 48 -5.655 4.993 -4.980 1.00 0.06 N ATOM 661 CA LEU A 48 -5.579 3.878 -4.075 1.00 0.06 C ATOM 662 C LEU A 48 -6.753 2.966 -4.280 1.00 0.08 C ATOM 663 O LEU A 48 -6.621 1.756 -4.358 1.00 0.09 O ATOM 664 CB LEU A 48 -5.576 4.421 -2.669 1.00 0.08 C ATOM 665 CG LEU A 48 -5.634 3.380 -1.569 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.643 2.265 -1.854 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.370 4.039 -0.231 1.00 0.10 C ATOM 0 H LEU A 48 -5.853 5.884 -4.525 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.671 3.303 -4.257 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.676 5.020 -2.531 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.427 5.093 -2.555 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.628 2.934 -1.534 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.692 1.522 -1.058 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.889 1.794 -2.806 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.635 2.678 -1.903 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.412 3.289 0.559 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.382 4.500 -0.241 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.125 4.803 -0.046 1.00 0.10 H new ATOM 679 N GLU A 49 -7.883 3.591 -4.423 1.00 0.09 N ATOM 680 CA GLU A 49 -9.151 2.921 -4.590 1.00 0.12 C ATOM 681 C GLU A 49 -9.203 2.222 -5.927 1.00 0.12 C ATOM 682 O GLU A 49 -10.075 1.414 -6.196 1.00 0.15 O ATOM 683 CB GLU A 49 -10.197 3.990 -4.462 1.00 0.17 C ATOM 684 CG GLU A 49 -10.259 4.488 -3.042 1.00 0.30 C ATOM 685 CD GLU A 49 -10.966 3.529 -2.106 1.00 0.99 C ATOM 686 OE1 GLU A 49 -11.911 2.841 -2.544 1.00 1.32 O ATOM 687 OE2 GLU A 49 -10.571 3.462 -0.925 1.00 1.49 O1- ATOM 0 H GLU A 49 -7.957 4.608 -4.428 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.311 2.143 -3.843 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -9.968 4.816 -5.135 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.169 3.596 -4.760 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -9.246 4.660 -2.679 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.772 5.450 -3.023 1.00 0.30 H new ATOM 694 N GLN A 50 -8.233 2.555 -6.743 1.00 0.10 N ATOM 695 CA GLN A 50 -7.998 1.903 -8.002 1.00 0.11 C ATOM 696 C GLN A 50 -7.253 0.630 -7.795 1.00 0.10 C ATOM 697 O GLN A 50 -7.666 -0.442 -8.220 1.00 0.12 O ATOM 698 CB GLN A 50 -7.149 2.792 -8.860 1.00 0.11 C ATOM 699 CG GLN A 50 -7.957 3.570 -9.865 1.00 0.14 C ATOM 700 CD GLN A 50 -8.148 2.795 -11.158 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.055 1.468 -11.088 1.00 0.37 O flip ATOM 702 NE2 GLN A 50 -8.332 3.382 -12.221 1.00 0.20 N flip ATOM 0 H GLN A 50 -7.571 3.305 -6.543 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.959 1.699 -8.473 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.600 3.487 -8.225 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.410 2.187 -9.384 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.931 3.812 -9.439 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.458 4.516 -10.078 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -8.398 4.400 -12.237 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.419 2.852 -13.088 1.00 0.20 H new ATOM 711 N ILE A 51 -6.132 0.789 -7.145 1.00 0.09 N ATOM 712 CA ILE A 51 -5.251 -0.301 -6.851 1.00 0.09 C ATOM 713 C ILE A 51 -5.976 -1.297 -5.988 1.00 0.11 C ATOM 714 O ILE A 51 -5.824 -2.498 -6.131 1.00 0.16 O ATOM 715 CB ILE A 51 -4.032 0.218 -6.099 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.492 1.455 -6.805 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.981 -0.868 -5.988 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.512 2.230 -5.974 1.00 0.06 C ATOM 0 H ILE A 51 -5.804 1.692 -6.802 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.931 -0.774 -7.779 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.316 0.499 -5.085 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -3.011 1.153 -7.735 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.325 2.105 -7.073 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -2.116 -0.483 -5.448 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.394 -1.721 -5.450 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.676 -1.182 -6.986 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.166 3.098 -6.535 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.996 2.561 -5.055 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.661 1.595 -5.728 1.00 0.06 H new ATOM 730 N LEU A 52 -6.791 -0.758 -5.108 1.00 0.09 N ATOM 731 CA LEU A 52 -7.605 -1.543 -4.210 1.00 0.10 C ATOM 732 C LEU A 52 -8.716 -2.235 -4.959 1.00 0.11 C ATOM 733 O LEU A 52 -8.982 -3.421 -4.752 1.00 0.13 O ATOM 734 CB LEU A 52 -8.180 -0.631 -3.145 1.00 0.10 C ATOM 735 CG LEU A 52 -7.175 -0.202 -2.110 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.769 0.888 -1.250 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.770 -1.403 -1.292 1.00 0.10 C ATOM 0 H LEU A 52 -6.907 0.249 -4.996 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.987 -2.311 -3.745 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.596 0.255 -3.624 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -9.005 -1.142 -2.648 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.283 0.203 -2.587 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.040 1.198 -0.501 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.033 1.741 -1.875 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.663 0.512 -0.753 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.042 -1.102 -0.539 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.648 -1.821 -0.800 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.327 -2.155 -1.945 1.00 0.10 H new ATOM 749 N ALA A 53 -9.338 -1.484 -5.847 1.00 0.12 N ATOM 750 CA ALA A 53 -10.382 -2.022 -6.704 1.00 0.14 C ATOM 751 C ALA A 53 -9.797 -3.152 -7.525 1.00 0.15 C ATOM 752 O ALA A 53 -10.431 -4.182 -7.771 1.00 0.18 O ATOM 753 CB ALA A 53 -10.930 -0.932 -7.612 1.00 0.16 C ATOM 0 H ALA A 53 -9.139 -0.495 -5.996 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.205 -2.399 -6.096 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.711 -1.347 -8.249 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.346 -0.128 -7.005 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -10.126 -0.538 -8.234 1.00 0.16 H new ATOM 759 N THR A 54 -8.552 -2.940 -7.902 1.00 0.15 N ATOM 760 CA THR A 54 -7.770 -3.898 -8.616 1.00 0.16 C ATOM 761 C THR A 54 -7.420 -5.083 -7.721 1.00 0.15 C ATOM 762 O THR A 54 -7.698 -6.214 -8.079 1.00 0.17 O ATOM 763 CB THR A 54 -6.505 -3.207 -9.154 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.820 -2.483 -10.353 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.363 -4.187 -9.413 1.00 0.24 C ATOM 0 H THR A 54 -8.054 -2.071 -7.710 1.00 0.15 H new ATOM 0 HA THR A 54 -8.344 -4.289 -9.456 1.00 0.16 H new ATOM 0 HB THR A 54 -6.160 -2.517 -8.384 1.00 0.18 H new ATOM 0 HG1 THR A 54 -7.205 -1.613 -10.118 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.497 -3.644 -9.791 1.00 0.24 H new ATOM 0 HG22 THR A 54 -5.098 -4.691 -8.483 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.678 -4.926 -10.149 1.00 0.24 H new ATOM 773 N SER A 55 -6.859 -4.810 -6.538 1.00 0.13 N ATOM 774 CA SER A 55 -6.434 -5.842 -5.604 1.00 0.13 C ATOM 775 C SER A 55 -7.516 -6.901 -5.412 1.00 0.11 C ATOM 776 O SER A 55 -7.249 -8.096 -5.478 1.00 0.13 O ATOM 777 CB SER A 55 -6.081 -5.208 -4.269 1.00 0.18 C ATOM 778 OG SER A 55 -5.042 -4.266 -4.422 1.00 0.90 O ATOM 0 H SER A 55 -6.689 -3.861 -6.206 1.00 0.13 H new ATOM 0 HA SER A 55 -5.555 -6.336 -6.018 1.00 0.13 H new ATOM 0 HB2 SER A 55 -6.961 -4.721 -3.848 1.00 0.18 H new ATOM 0 HB3 SER A 55 -5.777 -5.981 -3.563 1.00 0.18 H new ATOM 0 HG SER A 55 -4.182 -4.733 -4.475 1.00 0.90 H new ATOM 784 N ARG A 56 -8.741 -6.450 -5.198 1.00 0.10 N ATOM 785 CA ARG A 56 -9.871 -7.354 -5.025 1.00 0.10 C ATOM 786 C ARG A 56 -10.116 -8.165 -6.295 1.00 0.12 C ATOM 787 O ARG A 56 -10.296 -9.377 -6.239 1.00 0.17 O ATOM 788 CB ARG A 56 -11.114 -6.552 -4.676 1.00 0.11 C ATOM 789 CG ARG A 56 -10.925 -5.621 -3.510 1.00 0.14 C ATOM 790 CD ARG A 56 -11.819 -4.407 -3.657 1.00 0.17 C ATOM 791 NE ARG A 56 -13.206 -4.762 -3.951 1.00 1.28 N ATOM 792 CZ ARG A 56 -14.237 -3.936 -3.784 1.00 1.63 C ATOM 793 NH1 ARG A 56 -14.054 -2.742 -3.233 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.456 -4.312 -4.148 1.00 2.73 N ATOM 0 H ARG A 56 -8.981 -5.460 -5.139 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.643 -8.047 -4.215 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.418 -5.972 -5.547 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.929 -7.240 -4.452 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.156 -6.140 -2.580 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.882 -5.308 -3.451 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.785 -3.822 -2.738 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.434 -3.771 -4.454 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.396 -5.699 -4.306 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -13.121 -2.455 -2.936 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.846 -2.112 -3.107 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.604 -5.235 -4.556 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -16.245 -3.678 -4.019 1.00 2.73 H new ATOM 808 N SER A 57 -10.098 -7.484 -7.435 1.00 0.13 N ATOM 809 CA SER A 57 -10.295 -8.123 -8.732 1.00 0.17 C ATOM 810 C SER A 57 -9.195 -9.147 -9.009 1.00 0.18 C ATOM 811 O SER A 57 -9.429 -10.191 -9.615 1.00 0.22 O ATOM 812 CB SER A 57 -10.308 -7.055 -9.821 1.00 0.22 C ATOM 813 OG SER A 57 -10.563 -7.613 -11.097 1.00 0.55 O ATOM 0 H SER A 57 -9.947 -6.477 -7.487 1.00 0.13 H new ATOM 0 HA SER A 57 -11.249 -8.650 -8.725 1.00 0.17 H new ATOM 0 HB2 SER A 57 -11.069 -6.310 -9.591 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.349 -6.537 -9.835 1.00 0.22 H new ATOM 0 HG SER A 57 -10.566 -6.901 -11.771 1.00 0.55 H new ATOM 819 N ARG A 58 -7.997 -8.823 -8.554 1.00 0.18 N ATOM 820 CA ARG A 58 -6.831 -9.678 -8.709 1.00 0.21 C ATOM 821 C ARG A 58 -6.945 -10.907 -7.829 1.00 0.18 C ATOM 822 O ARG A 58 -6.426 -11.978 -8.140 1.00 0.22 O ATOM 823 CB ARG A 58 -5.609 -8.890 -8.295 1.00 0.24 C ATOM 824 CG ARG A 58 -5.449 -7.595 -9.055 1.00 0.27 C ATOM 825 CD ARG A 58 -4.448 -7.726 -10.186 1.00 0.37 C ATOM 826 NE ARG A 58 -4.581 -6.675 -11.194 1.00 1.25 N ATOM 827 CZ ARG A 58 -3.568 -6.225 -11.933 1.00 1.56 C ATOM 828 NH1 ARG A 58 -2.358 -6.759 -11.801 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -3.767 -5.253 -12.814 1.00 2.50 N ATOM 0 H ARG A 58 -7.804 -7.951 -8.062 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.757 -10.001 -9.748 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.669 -8.673 -7.229 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.721 -9.504 -8.445 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.414 -7.288 -9.458 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -5.125 -6.810 -8.372 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.439 -7.701 -9.775 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.574 -8.698 -10.664 1.00 0.37 H new ATOM 0 HE ARG A 58 -5.502 -6.263 -11.340 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.204 -7.514 -11.133 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -1.583 -6.413 -12.368 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -4.697 -4.849 -12.926 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -2.990 -4.910 -13.379 1.00 2.50 H new ATOM 843 N GLY A 59 -7.629 -10.722 -6.718 1.00 0.14 N ATOM 844 CA GLY A 59 -7.800 -11.788 -5.754 1.00 0.15 C ATOM 845 C GLY A 59 -6.866 -11.621 -4.578 1.00 0.18 C ATOM 846 O GLY A 59 -6.550 -12.581 -3.874 1.00 0.24 O ATOM 0 H GLY A 59 -8.076 -9.842 -6.461 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.832 -11.801 -5.403 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.615 -12.749 -6.234 1.00 0.15 H new ATOM 850 N TYR A 60 -6.418 -10.391 -4.384 1.00 0.16 N ATOM 851 CA TYR A 60 -5.580 -10.034 -3.255 1.00 0.17 C ATOM 852 C TYR A 60 -6.438 -9.881 -2.007 1.00 0.15 C ATOM 853 O TYR A 60 -6.126 -10.421 -0.947 1.00 0.18 O ATOM 854 CB TYR A 60 -4.857 -8.721 -3.549 1.00 0.16 C ATOM 855 CG TYR A 60 -3.684 -8.848 -4.497 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.723 -8.230 -5.726 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.544 -9.567 -4.162 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.675 -8.311 -6.608 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.479 -9.661 -5.041 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.549 -9.029 -6.265 1.00 0.28 C ATOM 861 OH TYR A 60 -0.494 -9.113 -7.143 1.00 0.35 O ATOM 0 H TYR A 60 -6.627 -9.611 -5.008 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.844 -10.821 -3.089 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.572 -8.013 -3.969 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.504 -8.297 -2.609 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.602 -7.666 -6.004 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.488 -10.060 -3.202 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.732 -7.815 -7.566 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.599 -10.225 -4.770 1.00 0.51 H new ATOM 0 HH TYR A 60 0.220 -9.655 -6.746 1.00 0.35 H new ATOM 871 N ILE A 61 -7.531 -9.140 -2.158 1.00 0.12 N ATOM 872 CA ILE A 61 -8.412 -8.816 -1.058 1.00 0.12 C ATOM 873 C ILE A 61 -9.866 -8.856 -1.476 1.00 0.11 C ATOM 874 O ILE A 61 -10.220 -9.291 -2.574 1.00 0.11 O ATOM 875 CB ILE A 61 -8.148 -7.395 -0.571 1.00 0.10 C ATOM 876 CG1 ILE A 61 -7.998 -6.485 -1.788 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.918 -7.345 0.324 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.115 -5.018 -1.477 1.00 0.11 C ATOM 0 H ILE A 61 -7.826 -8.749 -3.053 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.219 -9.555 -0.280 1.00 0.12 H new ATOM 0 HB ILE A 61 -8.987 -7.049 0.033 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.028 -6.671 -2.250 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.758 -6.751 -2.523 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.752 -6.321 0.657 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.072 -7.988 1.190 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.048 -7.690 -0.234 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.997 -4.441 -2.394 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.095 -4.815 -1.044 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.338 -4.734 -0.767 1.00 0.11 H new ATOM 890 N THR A 62 -10.686 -8.383 -0.569 1.00 0.12 N ATOM 891 CA THR A 62 -12.097 -8.176 -0.792 1.00 0.12 C ATOM 892 C THR A 62 -12.507 -6.806 -0.261 1.00 0.13 C ATOM 893 O THR A 62 -12.003 -6.378 0.770 1.00 0.13 O ATOM 894 CB THR A 62 -12.918 -9.272 -0.092 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.176 -10.361 -0.989 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.218 -8.723 0.474 1.00 0.16 C ATOM 0 H THR A 62 -10.382 -8.124 0.370 1.00 0.12 H new ATOM 0 HA THR A 62 -12.293 -8.223 -1.863 1.00 0.12 H new ATOM 0 HB THR A 62 -12.326 -9.643 0.745 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.698 -11.049 -0.526 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.771 -9.526 0.961 1.00 0.16 H new ATOM 0 HG22 THR A 62 -13.997 -7.942 1.201 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.819 -8.307 -0.334 1.00 0.16 H new ATOM 904 N GLY A 63 -13.409 -6.144 -0.981 1.00 0.15 N ATOM 905 CA GLY A 63 -13.972 -4.871 -0.549 1.00 0.17 C ATOM 906 C GLY A 63 -12.954 -3.934 0.067 1.00 0.17 C ATOM 907 O GLY A 63 -11.970 -3.561 -0.572 1.00 0.24 O ATOM 0 H GLY A 63 -13.768 -6.475 -1.877 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.435 -4.379 -1.405 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.764 -5.061 0.176 1.00 0.17 H new ATOM 911 N ASP A 64 -13.198 -3.569 1.313 1.00 0.14 N ATOM 912 CA ASP A 64 -12.286 -2.739 2.074 1.00 0.14 C ATOM 913 C ASP A 64 -11.588 -3.567 3.141 1.00 0.11 C ATOM 914 O ASP A 64 -10.982 -3.030 4.062 1.00 0.13 O ATOM 915 CB ASP A 64 -13.036 -1.587 2.735 1.00 0.19 C ATOM 916 CG ASP A 64 -14.084 -2.049 3.735 1.00 1.30 C ATOM 917 OD1 ASP A 64 -14.358 -1.301 4.701 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.640 -3.157 3.567 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.037 -3.841 1.825 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.542 -2.332 1.389 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -12.320 -0.940 3.242 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -13.519 -0.987 1.964 1.00 0.19 H new ATOM 923 N GLN A 65 -11.676 -4.879 2.998 1.00 0.10 N ATOM 924 CA GLN A 65 -11.062 -5.823 3.911 1.00 0.10 C ATOM 925 C GLN A 65 -9.569 -5.930 3.678 1.00 0.08 C ATOM 926 O GLN A 65 -8.995 -7.000 3.750 1.00 0.09 O ATOM 927 CB GLN A 65 -11.705 -7.184 3.791 1.00 0.11 C ATOM 928 CG GLN A 65 -13.195 -7.103 3.594 1.00 0.16 C ATOM 929 CD GLN A 65 -13.953 -6.826 4.860 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.292 -7.736 5.616 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.260 -5.569 5.079 1.00 0.34 N ATOM 0 H GLN A 65 -12.184 -5.323 2.233 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.222 -5.447 4.922 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.260 -7.720 2.953 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.492 -7.763 4.689 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.415 -6.319 2.869 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.548 -8.041 3.166 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -13.957 -4.848 4.424 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -14.802 -5.313 5.904 1.00 0.34 H new ATOM 940 N TYR A 66 -8.968 -4.840 3.326 1.00 0.07 N ATOM 941 CA TYR A 66 -7.552 -4.813 3.076 1.00 0.06 C ATOM 942 C TYR A 66 -6.867 -4.084 4.196 1.00 0.05 C ATOM 943 O TYR A 66 -7.504 -3.363 4.952 1.00 0.05 O ATOM 944 CB TYR A 66 -7.249 -4.102 1.776 1.00 0.07 C ATOM 945 CG TYR A 66 -7.683 -2.659 1.770 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.786 -1.647 2.069 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.989 -2.313 1.456 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.176 -0.327 2.058 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.388 -0.996 1.446 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.486 -0.011 1.772 1.00 0.09 C ATOM 951 OH TYR A 66 -8.855 1.307 1.742 1.00 0.11 O ATOM 0 H TYR A 66 -9.437 -3.943 3.202 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.192 -5.840 3.010 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.177 -4.153 1.584 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.745 -4.627 0.959 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.765 -1.897 2.315 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.702 -3.088 1.216 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.461 0.454 2.272 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.403 -0.738 1.184 1.00 0.09 H new ATOM 0 HH TYR A 66 -8.075 1.860 1.528 1.00 0.11 H new ATOM 961 N ILE A 67 -5.577 -4.245 4.290 1.00 0.05 N ATOM 962 CA ILE A 67 -4.820 -3.523 5.268 1.00 0.05 C ATOM 963 C ILE A 67 -3.680 -2.796 4.597 1.00 0.05 C ATOM 964 O ILE A 67 -2.668 -3.372 4.254 1.00 0.06 O ATOM 965 CB ILE A 67 -4.267 -4.454 6.362 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.406 -5.090 7.147 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.324 -3.694 7.276 1.00 0.06 C ATOM 968 CD1 ILE A 67 -4.953 -6.141 8.123 1.00 0.07 C ATOM 0 H ILE A 67 -5.029 -4.871 3.700 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.489 -2.806 5.744 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.701 -5.256 5.888 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.942 -4.311 7.688 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.113 -5.536 6.448 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.941 -4.366 8.044 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.492 -3.298 6.693 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.860 -2.871 7.748 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.818 -6.549 8.645 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.443 -6.941 7.586 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.269 -5.696 8.846 1.00 0.07 H new ATOM 980 N LEU A 68 -3.859 -1.531 4.401 1.00 0.05 N ATOM 981 CA LEU A 68 -2.848 -0.727 3.767 1.00 0.06 C ATOM 982 C LEU A 68 -2.016 -0.043 4.852 1.00 0.07 C ATOM 983 O LEU A 68 -2.529 0.219 5.942 1.00 0.11 O ATOM 984 CB LEU A 68 -3.534 0.283 2.870 1.00 0.06 C ATOM 985 CG LEU A 68 -2.642 1.329 2.231 1.00 0.07 C ATOM 986 CD1 LEU A 68 -2.044 0.806 0.939 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.423 2.611 2.014 1.00 0.10 C ATOM 0 H LEU A 68 -4.701 -1.022 4.671 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.180 -1.334 3.157 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -4.049 -0.258 2.076 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.298 0.796 3.454 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.812 1.551 2.902 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.407 1.572 0.496 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.450 -0.084 1.147 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.844 0.553 0.244 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.776 3.358 1.555 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.271 2.414 1.359 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.784 2.984 2.973 1.00 0.10 H new ATOM 999 N GLU A 69 -0.743 0.208 4.583 1.00 0.07 N ATOM 1000 CA GLU A 69 0.129 0.868 5.556 1.00 0.08 C ATOM 1001 C GLU A 69 1.159 1.729 4.863 1.00 0.08 C ATOM 1002 O GLU A 69 1.632 1.398 3.775 1.00 0.09 O ATOM 1003 CB GLU A 69 0.848 -0.168 6.425 1.00 0.11 C ATOM 1004 CG GLU A 69 -0.004 -0.745 7.541 1.00 0.17 C ATOM 1005 CD GLU A 69 -0.005 0.112 8.789 1.00 0.42 C ATOM 1006 OE1 GLU A 69 0.961 0.039 9.577 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -0.977 0.874 8.987 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.288 -0.033 3.703 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.499 1.499 6.185 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.193 -0.983 5.788 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.734 0.293 6.861 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -1.028 -0.861 7.186 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.361 -1.741 7.791 1.00 0.17 H new ATOM 1014 N ARG A 70 1.486 2.848 5.493 1.00 0.10 N ATOM 1015 CA ARG A 70 2.564 3.693 5.020 1.00 0.10 C ATOM 1016 C ARG A 70 3.892 3.027 5.280 1.00 0.09 C ATOM 1017 O ARG A 70 4.120 2.461 6.347 1.00 0.10 O ATOM 1018 CB ARG A 70 2.536 5.054 5.698 1.00 0.14 C ATOM 1019 CG ARG A 70 1.196 5.738 5.607 1.00 0.40 C ATOM 1020 CD ARG A 70 0.381 5.568 6.872 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.577 6.653 7.047 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.389 6.761 8.093 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.396 5.824 9.034 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.197 7.803 8.197 1.00 1.74 N ATOM 0 H ARG A 70 1.018 3.189 6.333 1.00 0.10 H new ATOM 0 HA ARG A 70 2.430 3.840 3.948 1.00 0.10 H new ATOM 0 HB2 ARG A 70 2.805 4.935 6.748 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.294 5.693 5.245 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.344 6.800 5.412 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.640 5.333 4.761 1.00 0.40 H new ATOM 0 HD2 ARG A 70 -0.149 4.616 6.838 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.049 5.530 7.733 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.627 7.371 6.324 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.776 5.018 8.955 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.021 5.911 9.835 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.196 8.523 7.474 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -2.821 7.887 9.000 1.00 1.74 H new ATOM 1038 N VAL A 71 4.760 3.098 4.297 1.00 0.07 N ATOM 1039 CA VAL A 71 6.002 2.366 4.340 1.00 0.07 C ATOM 1040 C VAL A 71 7.198 3.258 4.102 1.00 0.07 C ATOM 1041 O VAL A 71 8.019 3.420 4.990 1.00 0.08 O ATOM 1042 CB VAL A 71 5.983 1.248 3.298 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.247 0.417 3.363 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.752 0.386 3.486 1.00 0.11 C ATOM 0 H VAL A 71 4.627 3.658 3.455 1.00 0.07 H new ATOM 0 HA VAL A 71 6.096 1.944 5.341 1.00 0.07 H new ATOM 0 HB VAL A 71 5.943 1.699 2.307 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.204 -0.370 2.610 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.111 1.054 3.174 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.337 -0.032 4.352 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.746 -0.408 2.739 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.765 -0.054 4.483 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.858 0.999 3.371 1.00 0.11 H new ATOM 1054 N ASN A 72 7.303 3.844 2.917 1.00 0.06 N ATOM 1055 CA ASN A 72 8.522 4.553 2.550 1.00 0.07 C ATOM 1056 C ASN A 72 8.240 5.770 1.697 1.00 0.07 C ATOM 1057 O ASN A 72 7.198 5.865 1.058 1.00 0.08 O ATOM 1058 CB ASN A 72 9.420 3.602 1.788 1.00 0.10 C ATOM 1059 CG ASN A 72 10.834 4.101 1.566 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.095 4.895 0.672 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.762 3.592 2.352 1.00 0.14 N ATOM 0 H ASN A 72 6.573 3.844 2.204 1.00 0.06 H new ATOM 0 HA ASN A 72 9.004 4.901 3.464 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.464 2.656 2.328 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.967 3.395 0.819 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.739 3.857 2.226 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.503 2.933 3.086 1.00 0.14 H new ATOM 1068 N ILE A 73 9.181 6.694 1.690 1.00 0.08 N ATOM 1069 CA ILE A 73 9.121 7.819 0.771 1.00 0.08 C ATOM 1070 C ILE A 73 10.343 7.814 -0.132 1.00 0.09 C ATOM 1071 O ILE A 73 11.452 8.125 0.298 1.00 0.11 O ATOM 1072 CB ILE A 73 9.015 9.196 1.466 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.675 9.365 2.178 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.178 10.303 0.440 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.567 10.664 2.948 1.00 0.10 C ATOM 0 H ILE A 73 9.994 6.690 2.306 1.00 0.08 H new ATOM 0 HA ILE A 73 8.205 7.685 0.196 1.00 0.08 H new ATOM 0 HB ILE A 73 9.808 9.253 2.211 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.872 9.319 1.442 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.528 8.531 2.864 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.103 11.271 0.935 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.153 10.215 -0.038 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.395 10.219 -0.314 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.591 10.721 3.430 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.349 10.704 3.706 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.683 11.504 2.263 1.00 0.10 H new ATOM 1087 N VAL A 74 10.130 7.449 -1.381 1.00 0.10 N ATOM 1088 CA VAL A 74 11.202 7.442 -2.366 1.00 0.13 C ATOM 1089 C VAL A 74 10.997 8.593 -3.326 1.00 0.15 C ATOM 1090 O VAL A 74 10.087 8.547 -4.148 1.00 0.15 O ATOM 1091 CB VAL A 74 11.254 6.127 -3.178 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.324 6.205 -4.256 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.508 4.935 -2.276 1.00 0.24 C ATOM 0 H VAL A 74 9.223 7.152 -1.742 1.00 0.10 H new ATOM 0 HA VAL A 74 12.143 7.537 -1.824 1.00 0.13 H new ATOM 0 HB VAL A 74 10.283 5.993 -3.655 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.345 5.270 -4.816 1.00 0.18 H new ATOM 0 HG12 VAL A 74 12.099 7.029 -4.933 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.296 6.372 -3.792 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.539 4.025 -2.875 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.461 5.064 -1.762 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.707 4.858 -1.541 1.00 0.24 H new ATOM 1103 N ASN A 75 11.803 9.643 -3.182 1.00 0.20 N ATOM 1104 CA ASN A 75 11.703 10.824 -4.048 1.00 0.25 C ATOM 1105 C ASN A 75 10.369 11.551 -3.821 1.00 0.20 C ATOM 1106 O ASN A 75 10.057 12.551 -4.463 1.00 0.25 O ATOM 1107 CB ASN A 75 11.841 10.348 -5.513 1.00 0.29 C ATOM 1108 CG ASN A 75 11.296 11.304 -6.555 1.00 0.33 C ATOM 1109 OD1 ASN A 75 9.983 11.265 -6.761 1.00 0.39 O flip ATOM 1110 ND2 ASN A 75 12.037 12.091 -7.145 1.00 0.31 N flip ATOM 0 H ASN A 75 12.535 9.703 -2.474 1.00 0.20 H new ATOM 0 HA ASN A 75 12.495 11.536 -3.815 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.896 10.170 -5.723 1.00 0.29 H new ATOM 0 HB3 ASN A 75 11.329 9.391 -5.617 1.00 0.29 H new ATOM 0 HD21 ASN A 75 13.039 12.087 -6.956 1.00 0.31 H new ATOM 0 HD22 ASN A 75 11.648 12.747 -7.822 1.00 0.31 H new ATOM 1117 N GLY A 76 9.638 11.119 -2.815 1.00 0.13 N ATOM 1118 CA GLY A 76 8.306 11.637 -2.619 1.00 0.10 C ATOM 1119 C GLY A 76 7.245 10.789 -3.302 1.00 0.09 C ATOM 1120 O GLY A 76 6.116 11.231 -3.476 1.00 0.11 O ATOM 0 H GLY A 76 9.939 10.423 -2.133 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.093 11.689 -1.551 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.256 12.656 -3.004 1.00 0.10 H new ATOM 1124 N ASN A 77 7.605 9.567 -3.679 1.00 0.09 N ATOM 1125 CA ASN A 77 6.687 8.654 -4.353 1.00 0.10 C ATOM 1126 C ASN A 77 6.033 7.719 -3.350 1.00 0.09 C ATOM 1127 O ASN A 77 5.822 6.550 -3.650 1.00 0.10 O ATOM 1128 CB ASN A 77 7.421 7.844 -5.422 1.00 0.14 C ATOM 1129 CG ASN A 77 7.875 8.693 -6.590 1.00 0.23 C ATOM 1130 OD1 ASN A 77 7.253 9.702 -6.923 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.969 8.293 -7.217 1.00 0.36 N ATOM 0 H ASN A 77 8.537 9.182 -3.527 1.00 0.09 H new ATOM 0 HA ASN A 77 5.911 9.248 -4.836 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.287 7.358 -4.973 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.766 7.053 -5.786 1.00 0.14 H new ATOM 0 HD21 ASN A 77 9.327 8.827 -8.009 1.00 0.36 H new ATOM 0 HD22 ASN A 77 9.454 7.451 -6.909 1.00 0.36 H new ATOM 1138 N GLY A 78 5.728 8.270 -2.169 1.00 0.07 N ATOM 1139 CA GLY A 78 5.329 7.497 -0.985 1.00 0.07 C ATOM 1140 C GLY A 78 4.733 6.136 -1.272 1.00 0.06 C ATOM 1141 O GLY A 78 3.680 6.013 -1.899 1.00 0.08 O ATOM 0 H GLY A 78 5.751 9.277 -2.006 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.202 7.366 -0.346 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.604 8.081 -0.418 1.00 0.07 H new ATOM 1145 N TYR A 79 5.418 5.118 -0.793 1.00 0.06 N ATOM 1146 CA TYR A 79 5.035 3.742 -1.040 1.00 0.05 C ATOM 1147 C TYR A 79 4.188 3.200 0.092 1.00 0.06 C ATOM 1148 O TYR A 79 4.469 3.421 1.274 1.00 0.06 O ATOM 1149 CB TYR A 79 6.272 2.867 -1.253 1.00 0.06 C ATOM 1150 CG TYR A 79 6.935 3.091 -2.598 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.961 2.089 -3.560 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.556 4.298 -2.896 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.582 2.278 -4.776 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.171 4.502 -4.101 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.116 3.514 -5.079 1.00 0.15 C ATOM 1156 OH TYR A 79 8.819 3.694 -6.254 1.00 0.19 O ATOM 0 H TYR A 79 6.256 5.221 -0.221 1.00 0.06 H new ATOM 0 HA TYR A 79 4.435 3.719 -1.950 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.993 3.069 -0.461 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.987 1.818 -1.165 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.485 1.142 -3.351 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.553 5.090 -2.162 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.650 1.466 -5.485 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.697 5.426 -4.292 1.00 0.15 H new ATOM 0 HH TYR A 79 9.126 4.623 -6.313 1.00 0.19 H new ATOM 1166 N TYR A 80 3.148 2.499 -0.300 1.00 0.07 N ATOM 1167 CA TYR A 80 2.196 1.924 0.620 1.00 0.07 C ATOM 1168 C TYR A 80 2.123 0.432 0.408 1.00 0.09 C ATOM 1169 O TYR A 80 2.095 -0.030 -0.723 1.00 0.13 O ATOM 1170 CB TYR A 80 0.817 2.521 0.386 1.00 0.07 C ATOM 1171 CG TYR A 80 0.643 3.915 0.918 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.172 5.018 0.254 1.00 0.09 C ATOM 1173 CD2 TYR A 80 -0.074 4.126 2.084 1.00 0.09 C ATOM 1174 CE1 TYR A 80 0.987 6.294 0.746 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.261 5.399 2.579 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.270 6.476 1.908 1.00 0.11 C ATOM 1177 OH TYR A 80 0.072 7.743 2.398 1.00 0.16 O ATOM 0 H TYR A 80 2.938 2.310 -1.280 1.00 0.07 H new ATOM 0 HA TYR A 80 2.519 2.140 1.638 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.614 2.527 -0.685 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.072 1.874 0.848 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.734 4.874 -0.657 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.492 3.282 2.612 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.401 7.144 0.224 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.822 5.550 3.490 1.00 0.11 H new ATOM 0 HH TYR A 80 0.024 8.378 1.653 1.00 0.16 H new ATOM 1187 N ASN A 81 2.080 -0.322 1.478 1.00 0.10 N ATOM 1188 CA ASN A 81 1.920 -1.758 1.337 1.00 0.14 C ATOM 1189 C ASN A 81 0.471 -2.110 1.502 1.00 0.08 C ATOM 1190 O ASN A 81 -0.232 -1.531 2.329 1.00 0.11 O ATOM 1191 CB ASN A 81 2.734 -2.568 2.349 1.00 0.32 C ATOM 1192 CG ASN A 81 4.223 -2.444 2.163 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.697 -2.109 1.089 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.973 -2.736 3.210 1.00 0.33 N ATOM 0 H ASN A 81 2.151 0.018 2.437 1.00 0.10 H new ATOM 0 HA ASN A 81 2.290 -2.016 0.345 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.474 -2.242 3.356 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.453 -3.618 2.271 1.00 0.32 H new ATOM 0 HD21 ASN A 81 5.989 -2.686 3.139 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.536 -3.012 4.089 1.00 0.33 H new ATOM 1201 N LEU A 82 0.031 -3.053 0.715 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.311 -3.550 0.819 1.00 0.06 C ATOM 1203 C LEU A 82 -1.249 -4.921 1.448 1.00 0.06 C ATOM 1204 O LEU A 82 -0.468 -5.778 1.033 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.946 -3.631 -0.561 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.407 -3.171 -0.659 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.229 -4.174 -1.451 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -4.016 -2.960 0.719 1.00 0.08 C ATOM 0 H LEU A 82 0.591 -3.496 -0.013 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.918 -2.882 1.430 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.350 -3.031 -1.249 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.887 -4.663 -0.906 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.419 -2.214 -1.181 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.262 -3.832 -1.510 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.819 -4.267 -2.457 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.196 -5.144 -0.955 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -5.051 -2.635 0.613 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.985 -3.895 1.278 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.449 -2.199 1.255 1.00 0.08 H new ATOM 1220 N TYR A 83 -2.032 -5.094 2.472 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.048 -6.313 3.235 1.00 0.06 C ATOM 1222 C TYR A 83 -3.433 -6.907 3.239 1.00 0.06 C ATOM 1223 O TYR A 83 -4.422 -6.227 2.968 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.608 -6.014 4.667 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.172 -5.582 4.773 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.866 -6.482 4.566 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.147 -4.279 5.091 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.183 -6.083 4.675 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.454 -3.876 5.200 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.479 -4.795 4.944 1.00 0.16 C ATOM 1231 OH TYR A 83 3.773 -4.357 5.096 1.00 0.19 O ATOM 0 H TYR A 83 -2.686 -4.386 2.807 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.363 -7.030 2.783 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.246 -5.232 5.079 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.758 -6.904 5.278 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.639 -7.508 4.316 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.645 -3.564 5.257 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.977 -6.803 4.545 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.690 -2.860 5.480 1.00 0.15 H new ATOM 0 HH TYR A 83 3.800 -3.641 5.765 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.486 -8.186 3.513 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.732 -8.877 3.717 1.00 0.08 C ATOM 1243 C LYS A 84 -5.247 -8.555 5.104 1.00 0.08 C ATOM 1244 O LYS A 84 -4.493 -8.027 5.912 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.488 -10.374 3.574 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.173 -10.787 2.161 1.00 0.10 C ATOM 1247 CD LYS A 84 -3.913 -12.277 2.058 1.00 0.11 C ATOM 1248 CE LYS A 84 -3.911 -12.731 0.619 1.00 0.17 C ATOM 1249 NZ LYS A 84 -3.745 -14.201 0.494 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.661 -8.779 3.601 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.473 -8.564 2.982 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.663 -10.666 4.224 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.370 -10.915 3.916 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.003 -10.516 1.509 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.299 -10.240 1.808 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -2.954 -12.514 2.519 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.677 -12.822 2.613 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -4.845 -12.431 0.144 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.105 -12.229 0.083 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -3.750 -14.467 -0.511 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -2.842 -14.486 0.923 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.527 -14.681 0.983 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.513 -8.860 5.416 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.042 -8.677 6.768 1.00 0.09 C ATOM 1265 C PRO A 85 -6.220 -9.438 7.790 1.00 0.10 C ATOM 1266 O PRO A 85 -6.251 -9.148 8.986 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.445 -9.264 6.721 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.807 -9.374 5.278 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.524 -9.369 4.480 1.00 0.10 C ATOM 0 HA PRO A 85 -7.023 -7.627 7.059 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.474 -10.241 7.204 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.151 -8.625 7.251 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.368 -10.290 5.093 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.446 -8.543 4.980 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.271 -10.369 4.128 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.606 -8.732 3.599 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.482 -10.417 7.299 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.659 -11.242 8.128 1.00 0.13 C ATOM 1279 C ASP A 86 -3.289 -10.618 8.278 1.00 0.11 C ATOM 1280 O ASP A 86 -2.432 -11.141 8.982 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.511 -12.612 7.498 1.00 0.20 C ATOM 1282 CG ASP A 86 -5.790 -13.126 6.871 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -5.902 -13.112 5.628 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -6.696 -13.542 7.624 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.445 -10.654 6.308 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.127 -11.335 9.108 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -3.732 -12.571 6.736 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.178 -13.319 8.258 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.093 -9.501 7.591 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.826 -8.810 7.621 1.00 0.10 C ATOM 1291 C GLY A 87 -0.884 -9.314 6.548 1.00 0.10 C ATOM 1292 O GLY A 87 0.230 -8.827 6.411 1.00 0.11 O ATOM 0 H GLY A 87 -3.802 -9.059 7.006 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -1.992 -7.741 7.486 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.364 -8.940 8.600 1.00 0.10 H new ATOM 1296 N THR A 88 -1.333 -10.281 5.767 1.00 0.10 N ATOM 1297 CA THR A 88 -0.493 -10.868 4.741 1.00 0.10 C ATOM 1298 C THR A 88 -0.129 -9.854 3.661 1.00 0.08 C ATOM 1299 O THR A 88 -1.004 -9.257 3.033 1.00 0.09 O ATOM 1300 CB THR A 88 -1.187 -12.077 4.107 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.156 -13.192 5.006 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.537 -12.435 2.783 1.00 0.13 C ATOM 0 H THR A 88 -2.272 -10.675 5.824 1.00 0.10 H new ATOM 0 HA THR A 88 0.429 -11.193 5.222 1.00 0.10 H new ATOM 0 HB THR A 88 -2.228 -11.818 3.912 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.604 -13.959 4.591 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.045 -13.296 2.349 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.611 -11.588 2.100 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.513 -12.678 2.947 1.00 0.13 H new ATOM 1310 N TYR A 89 1.172 -9.650 3.482 1.00 0.08 N ATOM 1311 CA TYR A 89 1.687 -8.783 2.430 1.00 0.08 C ATOM 1312 C TYR A 89 1.218 -9.213 1.056 1.00 0.08 C ATOM 1313 O TYR A 89 1.389 -10.362 0.643 1.00 0.11 O ATOM 1314 CB TYR A 89 3.213 -8.777 2.482 1.00 0.09 C ATOM 1315 CG TYR A 89 3.866 -7.988 1.372 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.277 -8.619 0.207 1.00 0.11 C ATOM 1317 CD2 TYR A 89 4.069 -6.616 1.486 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.871 -7.912 -0.816 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.666 -5.903 0.464 1.00 0.15 C ATOM 1320 CZ TYR A 89 5.063 -6.558 -0.685 1.00 0.16 C ATOM 1321 OH TYR A 89 5.654 -5.858 -1.705 1.00 0.20 O ATOM 0 H TYR A 89 1.895 -10.079 4.059 1.00 0.08 H new ATOM 0 HA TYR A 89 1.301 -7.779 2.604 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.531 -8.367 3.440 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.571 -9.806 2.441 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.129 -9.683 0.100 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.756 -6.103 2.383 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.184 -8.420 -1.716 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.821 -4.839 0.563 1.00 0.15 H new ATOM 0 HH TYR A 89 5.659 -4.903 -1.486 1.00 0.20 H new ATOM 1331 N LEU A 90 0.628 -8.259 0.371 1.00 0.07 N ATOM 1332 CA LEU A 90 0.161 -8.427 -0.984 1.00 0.07 C ATOM 1333 C LEU A 90 1.140 -7.774 -1.950 1.00 0.06 C ATOM 1334 O LEU A 90 1.723 -8.435 -2.808 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.207 -7.777 -1.088 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.269 -8.396 -0.186 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.477 -7.492 -0.101 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.663 -9.770 -0.692 1.00 0.12 C ATOM 0 H LEU A 90 0.457 -7.327 0.749 1.00 0.07 H new ATOM 0 HA LEU A 90 0.090 -9.484 -1.240 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.112 -6.719 -0.844 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.546 -7.837 -2.122 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.851 -8.509 0.815 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.227 -7.947 0.546 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.181 -6.527 0.309 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.896 -7.350 -1.097 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.422 -10.196 -0.035 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.064 -9.685 -1.702 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.787 -10.419 -0.703 1.00 0.12 H new ATOM 1350 N PHE A 91 1.330 -6.468 -1.782 1.00 0.06 N ATOM 1351 CA PHE A 91 2.287 -5.717 -2.593 1.00 0.06 C ATOM 1352 C PHE A 91 2.614 -4.371 -1.978 1.00 0.05 C ATOM 1353 O PHE A 91 2.007 -3.951 -0.993 1.00 0.07 O ATOM 1354 CB PHE A 91 1.781 -5.479 -4.021 1.00 0.07 C ATOM 1355 CG PHE A 91 0.393 -4.914 -4.128 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.690 -5.732 -4.428 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.167 -3.567 -3.907 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.957 -5.216 -4.504 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.107 -3.047 -3.985 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.161 -3.872 -4.367 1.00 0.13 C ATOM 0 H PHE A 91 0.833 -5.906 -1.091 1.00 0.06 H new ATOM 0 HA PHE A 91 3.184 -6.335 -2.627 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.471 -4.801 -4.524 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.812 -6.425 -4.562 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.531 -6.786 -4.603 1.00 0.12 H new ATOM 0 HD2 PHE A 91 0.997 -2.917 -3.671 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.797 -5.874 -4.673 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.286 -2.008 -3.752 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.138 -3.451 -4.555 1.00 0.13 H new ATOM 1370 N THR A 92 3.584 -3.718 -2.587 1.00 0.05 N ATOM 1371 CA THR A 92 3.934 -2.353 -2.272 1.00 0.05 C ATOM 1372 C THR A 92 3.545 -1.473 -3.438 1.00 0.05 C ATOM 1373 O THR A 92 4.012 -1.667 -4.553 1.00 0.09 O ATOM 1374 CB THR A 92 5.434 -2.179 -2.030 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.888 -3.002 -0.949 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.742 -0.719 -1.759 1.00 0.09 C ATOM 0 H THR A 92 4.157 -4.129 -3.324 1.00 0.05 H new ATOM 0 HA THR A 92 3.406 -2.079 -1.359 1.00 0.05 H new ATOM 0 HB THR A 92 5.967 -2.496 -2.926 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.225 -2.989 -0.227 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.812 -0.599 -1.587 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.443 -0.118 -2.618 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.193 -0.389 -0.877 1.00 0.09 H new ATOM 1384 N LEU A 93 2.696 -0.517 -3.188 1.00 0.05 N ATOM 1385 CA LEU A 93 2.214 0.337 -4.234 1.00 0.05 C ATOM 1386 C LEU A 93 2.807 1.720 -4.104 1.00 0.06 C ATOM 1387 O LEU A 93 3.323 2.107 -3.055 1.00 0.06 O ATOM 1388 CB LEU A 93 0.701 0.392 -4.186 1.00 0.05 C ATOM 1389 CG LEU A 93 0.138 1.189 -3.025 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.225 2.606 -3.464 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.055 0.462 -2.444 1.00 0.06 C ATOM 0 H LEU A 93 2.322 -0.309 -2.262 1.00 0.05 H new ATOM 0 HA LEU A 93 2.521 -0.068 -5.198 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.336 0.824 -5.118 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.314 -0.626 -4.133 1.00 0.05 H new ATOM 0 HG LEU A 93 0.898 1.280 -2.249 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.627 3.158 -2.615 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.666 3.111 -3.837 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.974 2.561 -4.255 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.459 1.035 -1.610 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.821 0.348 -3.211 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.745 -0.522 -2.092 1.00 0.06 H new ATOM 1403 N ASN A 94 2.717 2.445 -5.181 1.00 0.06 N ATOM 1404 CA ASN A 94 3.150 3.817 -5.238 1.00 0.08 C ATOM 1405 C ASN A 94 1.911 4.665 -5.172 1.00 0.09 C ATOM 1406 O ASN A 94 1.002 4.479 -5.963 1.00 0.15 O ATOM 1407 CB ASN A 94 3.869 4.081 -6.558 1.00 0.09 C ATOM 1408 CG ASN A 94 4.593 5.414 -6.600 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.155 6.401 -6.014 1.00 1.15 O ATOM 1410 ND2 ASN A 94 5.711 5.446 -7.305 1.00 0.87 N ATOM 0 H ASN A 94 2.335 2.097 -6.060 1.00 0.06 H new ATOM 0 HA ASN A 94 3.834 4.043 -4.420 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.588 3.281 -6.737 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.143 4.045 -7.371 1.00 0.09 H new ATOM 0 HD21 ASN A 94 6.244 6.313 -7.377 1.00 0.87 H new ATOM 0 HD22 ASN A 94 6.041 4.604 -7.777 1.00 0.87 H new ATOM 1417 N CYS A 95 1.846 5.564 -4.230 1.00 0.07 N ATOM 1418 CA CYS A 95 0.681 6.397 -4.096 1.00 0.07 C ATOM 1419 C CYS A 95 0.675 7.424 -5.212 1.00 0.08 C ATOM 1420 O CYS A 95 -0.353 7.685 -5.823 1.00 0.10 O ATOM 1421 CB CYS A 95 0.696 7.082 -2.733 1.00 0.09 C ATOM 1422 SG CYS A 95 1.985 8.323 -2.532 1.00 0.18 S ATOM 0 H CYS A 95 2.582 5.739 -3.546 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.222 5.791 -4.167 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.273 7.553 -2.567 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.817 6.323 -1.961 1.00 0.09 H new ATOM 0 HG CYS A 95 3.133 7.734 -2.370 1.00 0.18 H new ATOM 1428 N LYS A 96 1.858 7.926 -5.528 1.00 0.09 N ATOM 1429 CA LYS A 96 2.003 9.054 -6.418 1.00 0.10 C ATOM 1430 C LYS A 96 1.758 8.662 -7.860 1.00 0.11 C ATOM 1431 O LYS A 96 1.497 9.512 -8.713 1.00 0.17 O ATOM 1432 CB LYS A 96 3.388 9.660 -6.239 1.00 0.10 C ATOM 1433 CG LYS A 96 3.490 10.480 -4.993 1.00 0.11 C ATOM 1434 CD LYS A 96 2.894 11.847 -5.187 1.00 0.18 C ATOM 1435 CE LYS A 96 3.531 12.812 -4.229 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.064 14.207 -4.443 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.741 7.559 -5.172 1.00 0.09 H new ATOM 0 HA LYS A 96 1.250 9.800 -6.164 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.130 8.862 -6.209 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.624 10.283 -7.102 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.978 9.970 -4.177 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.536 10.575 -4.703 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.049 12.181 -6.213 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.817 11.812 -5.023 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.306 12.508 -3.207 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.614 12.772 -4.342 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.868 14.803 -4.726 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 2.342 14.221 -5.192 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.654 14.575 -3.561 1.00 0.31 H new ATOM 1450 N THR A 97 1.845 7.377 -8.134 1.00 0.11 N ATOM 1451 CA THR A 97 1.619 6.890 -9.476 1.00 0.11 C ATOM 1452 C THR A 97 0.509 5.849 -9.497 1.00 0.11 C ATOM 1453 O THR A 97 -0.119 5.613 -10.530 1.00 0.12 O ATOM 1454 CB THR A 97 2.914 6.301 -10.050 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.225 5.063 -9.404 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.056 7.278 -9.831 1.00 0.15 C ATOM 0 H THR A 97 2.069 6.656 -7.449 1.00 0.11 H new ATOM 0 HA THR A 97 1.307 7.730 -10.097 1.00 0.11 H new ATOM 0 HB THR A 97 2.776 6.123 -11.117 1.00 0.12 H new ATOM 0 HG1 THR A 97 4.092 4.737 -9.723 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.976 6.859 -10.239 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.831 8.219 -10.333 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.181 7.458 -8.763 1.00 0.15 H new ATOM 1464 N GLY A 98 0.256 5.245 -8.340 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.743 4.211 -8.241 1.00 0.10 C ATOM 1466 C GLY A 98 -0.232 2.895 -8.787 1.00 0.10 C ATOM 1467 O GLY A 98 -1.003 1.968 -9.037 1.00 0.13 O ATOM 0 H GLY A 98 0.733 5.460 -7.465 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.036 4.085 -7.199 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.636 4.512 -8.789 1.00 0.10 H new ATOM 1471 N TYR A 99 1.080 2.834 -8.989 1.00 0.10 N ATOM 1472 CA TYR A 99 1.755 1.626 -9.383 1.00 0.12 C ATOM 1473 C TYR A 99 1.755 0.659 -8.215 1.00 0.09 C ATOM 1474 O TYR A 99 1.554 1.068 -7.079 1.00 0.09 O ATOM 1475 CB TYR A 99 3.192 1.986 -9.761 1.00 0.18 C ATOM 1476 CG TYR A 99 3.920 0.919 -10.524 1.00 0.33 C ATOM 1477 CD1 TYR A 99 3.750 0.797 -11.888 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.777 0.046 -9.881 1.00 0.48 C ATOM 1479 CE1 TYR A 99 4.420 -0.179 -12.604 1.00 0.60 C ATOM 1480 CE2 TYR A 99 5.451 -0.932 -10.580 1.00 0.64 C ATOM 1481 CZ TYR A 99 5.271 -1.043 -11.941 1.00 0.69 C ATOM 1482 OH TYR A 99 5.947 -2.015 -12.642 1.00 0.85 O ATOM 0 H TYR A 99 1.701 3.636 -8.880 1.00 0.10 H new ATOM 0 HA TYR A 99 1.254 1.160 -10.232 1.00 0.12 H new ATOM 0 HB2 TYR A 99 3.180 2.898 -10.358 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.749 2.208 -8.851 1.00 0.18 H new ATOM 0 HD1 TYR A 99 3.084 1.473 -12.404 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.921 0.132 -8.814 1.00 0.48 H new ATOM 0 HE1 TYR A 99 4.279 -0.265 -13.671 1.00 0.60 H new ATOM 0 HE2 TYR A 99 6.117 -1.608 -10.063 1.00 0.64 H new ATOM 0 HH TYR A 99 6.254 -2.711 -12.024 1.00 0.85 H new ATOM 1492 N PHE A 100 1.968 -0.608 -8.479 1.00 0.10 N ATOM 1493 CA PHE A 100 2.127 -1.569 -7.409 1.00 0.09 C ATOM 1494 C PHE A 100 3.120 -2.644 -7.781 1.00 0.10 C ATOM 1495 O PHE A 100 3.129 -3.162 -8.899 1.00 0.13 O ATOM 1496 CB PHE A 100 0.789 -2.158 -6.958 1.00 0.10 C ATOM 1497 CG PHE A 100 -0.079 -2.685 -8.060 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.943 -1.848 -8.742 1.00 0.13 C ATOM 1499 CD2 PHE A 100 -0.014 -4.019 -8.424 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.730 -2.331 -9.770 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.798 -4.511 -9.448 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.715 -3.660 -10.079 1.00 0.20 C ATOM 0 H PHE A 100 2.035 -0.998 -9.419 1.00 0.10 H new ATOM 0 HA PHE A 100 2.533 -1.032 -6.552 1.00 0.09 H new ATOM 0 HB2 PHE A 100 0.985 -2.966 -6.253 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.236 -1.390 -6.417 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -1.003 -0.805 -8.468 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.658 -4.683 -7.901 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.359 -1.655 -10.330 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.706 -5.541 -9.760 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.408 -4.055 -10.808 1.00 0.20 H new ATOM 1512 N VAL A 101 3.969 -2.949 -6.823 1.00 0.08 N ATOM 1513 CA VAL A 101 5.094 -3.827 -7.032 1.00 0.09 C ATOM 1514 C VAL A 101 4.865 -5.149 -6.321 1.00 0.10 C ATOM 1515 O VAL A 101 4.377 -5.189 -5.191 1.00 0.12 O ATOM 1516 CB VAL A 101 6.410 -3.176 -6.533 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.412 -1.679 -6.798 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.669 -3.460 -5.066 1.00 0.10 C ATOM 0 H VAL A 101 3.895 -2.590 -5.871 1.00 0.08 H new ATOM 0 HA VAL A 101 5.188 -4.008 -8.103 1.00 0.09 H new ATOM 0 HB VAL A 101 7.223 -3.630 -7.099 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.346 -1.247 -6.438 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.317 -1.499 -7.869 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.574 -1.216 -6.277 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.601 -2.984 -4.762 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.848 -3.064 -4.468 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.744 -4.536 -4.912 1.00 0.10 H new ATOM 1528 N GLY A 102 5.201 -6.225 -6.991 1.00 0.11 N ATOM 1529 CA GLY A 102 5.055 -7.531 -6.393 1.00 0.16 C ATOM 1530 C GLY A 102 6.348 -7.973 -5.749 1.00 0.23 C ATOM 1531 O GLY A 102 7.306 -7.204 -5.701 1.00 0.49 O ATOM 0 H GLY A 102 5.574 -6.224 -7.941 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.261 -7.508 -5.647 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.757 -8.253 -7.153 1.00 0.16 H new ATOM 1535 N ASN A 103 6.386 -9.194 -5.251 1.00 0.28 N ATOM 1536 CA ASN A 103 7.601 -9.729 -4.655 1.00 0.34 C ATOM 1537 C ASN A 103 7.778 -11.188 -5.048 1.00 0.52 C ATOM 1538 O ASN A 103 6.805 -11.879 -5.364 1.00 1.18 O ATOM 1539 CB ASN A 103 7.583 -9.591 -3.123 1.00 0.57 C ATOM 1540 CG ASN A 103 6.496 -10.411 -2.441 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.415 -10.634 -2.990 1.00 1.18 O ATOM 1542 ND2 ASN A 103 6.773 -10.858 -1.224 1.00 0.52 N ATOM 0 H ASN A 103 5.593 -9.835 -5.246 1.00 0.28 H new ATOM 0 HA ASN A 103 8.444 -9.150 -5.033 1.00 0.34 H new ATOM 0 HB2 ASN A 103 8.553 -9.894 -2.730 1.00 0.57 H new ATOM 0 HB3 ASN A 103 7.448 -8.541 -2.864 1.00 0.57 H new ATOM 0 HD21 ASN A 103 6.081 -11.405 -0.712 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.678 -10.655 -0.800 1.00 0.52 H new ATOM 1549 N GLY A 104 9.020 -11.640 -5.059 1.00 1.34 N ATOM 1550 CA GLY A 104 9.306 -13.018 -5.385 1.00 1.58 C ATOM 1551 C GLY A 104 10.359 -13.148 -6.464 1.00 1.94 C ATOM 1552 O GLY A 104 11.008 -14.189 -6.584 1.00 2.58 O ATOM 0 H GLY A 104 9.840 -11.072 -4.846 1.00 1.34 H new ATOM 0 HA2 GLY A 104 9.642 -13.539 -4.488 1.00 1.58 H new ATOM 0 HA3 GLY A 104 8.390 -13.509 -5.714 1.00 1.58 H new ATOM 1556 N ALA A 105 10.545 -12.089 -7.244 1.00 2.18 N ATOM 1557 CA ALA A 105 11.511 -12.109 -8.334 1.00 2.72 C ATOM 1558 C ALA A 105 12.928 -11.905 -7.811 1.00 2.38 C ATOM 1559 O ALA A 105 13.906 -12.168 -8.514 1.00 2.80 O ATOM 1560 CB ALA A 105 11.172 -11.056 -9.377 1.00 3.51 C ATOM 0 H ALA A 105 10.041 -11.208 -7.142 1.00 2.18 H new ATOM 0 HA ALA A 105 11.460 -13.090 -8.807 1.00 2.72 H new ATOM 0 HB1 ALA A 105 11.907 -11.090 -10.181 1.00 3.51 H new ATOM 0 HB2 ALA A 105 10.180 -11.253 -9.784 1.00 3.51 H new ATOM 0 HB3 ALA A 105 11.185 -10.069 -8.915 1.00 3.51 H new ATOM 1566 N GLY A 106 13.031 -11.429 -6.577 1.00 2.15 N ATOM 1567 CA GLY A 106 14.323 -11.271 -5.944 1.00 2.11 C ATOM 1568 C GLY A 106 14.957 -9.929 -6.236 1.00 1.71 C ATOM 1569 O GLY A 106 14.784 -9.381 -7.324 1.00 2.30 O ATOM 0 H GLY A 106 12.237 -11.148 -6.001 1.00 2.15 H new ATOM 0 HA2 GLY A 106 14.211 -11.388 -4.866 1.00 2.11 H new ATOM 0 HA3 GLY A 106 14.989 -12.064 -6.284 1.00 2.11 H new ATOM 1573 N HIS A 107 15.701 -9.413 -5.256 1.00 1.52 N ATOM 1574 CA HIS A 107 16.394 -8.124 -5.362 1.00 1.72 C ATOM 1575 C HIS A 107 15.394 -6.981 -5.514 1.00 1.44 C ATOM 1576 O HIS A 107 14.990 -6.358 -4.531 1.00 1.91 O ATOM 1577 CB HIS A 107 17.392 -8.108 -6.531 1.00 2.56 C ATOM 1578 CG HIS A 107 18.427 -9.190 -6.476 1.00 3.15 C ATOM 1579 ND1 HIS A 107 19.658 -9.026 -5.884 1.00 3.92 N ATOM 1580 CD2 HIS A 107 18.410 -10.457 -6.958 1.00 3.70 C ATOM 1581 CE1 HIS A 107 20.354 -10.141 -6.008 1.00 4.69 C ATOM 1582 NE2 HIS A 107 19.620 -11.026 -6.654 1.00 4.59 N ATOM 0 H HIS A 107 15.842 -9.879 -4.360 1.00 1.52 H new ATOM 0 HA HIS A 107 16.955 -7.984 -4.438 1.00 1.72 H new ATOM 0 HB2 HIS A 107 16.839 -8.198 -7.466 1.00 2.56 H new ATOM 0 HB3 HIS A 107 17.895 -7.141 -6.550 1.00 2.56 H new ATOM 0 HD2 HIS A 107 17.594 -10.931 -7.484 1.00 3.70 H new ATOM 0 HE1 HIS A 107 21.357 -10.302 -5.642 1.00 4.69 H new ATOM 0 HE2 HIS A 107 19.905 -11.977 -6.889 1.00 4.59 H new ATOM 1591 N ALA A 108 14.981 -6.728 -6.744 1.00 0.96 N ATOM 1592 CA ALA A 108 14.005 -5.699 -7.034 1.00 0.74 C ATOM 1593 C ALA A 108 13.078 -6.166 -8.127 1.00 0.74 C ATOM 1594 O ALA A 108 13.451 -6.226 -9.297 1.00 0.95 O ATOM 1595 CB ALA A 108 14.677 -4.409 -7.453 1.00 0.75 C ATOM 0 H ALA A 108 15.314 -7.231 -7.567 1.00 0.96 H new ATOM 0 HA ALA A 108 13.434 -5.508 -6.125 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.918 -3.655 -7.664 1.00 0.75 H new ATOM 0 HB2 ALA A 108 15.324 -4.058 -6.649 1.00 0.75 H new ATOM 0 HB3 ALA A 108 15.274 -4.584 -8.348 1.00 0.75 H new ATOM 1601 N ASP A 109 11.886 -6.535 -7.716 1.00 0.65 N ATOM 1602 CA ASP A 109 10.836 -6.918 -8.626 1.00 0.72 C ATOM 1603 C ASP A 109 10.496 -5.781 -9.582 1.00 0.71 C ATOM 1604 O ASP A 109 10.685 -5.892 -10.793 1.00 0.84 O ATOM 1605 CB ASP A 109 9.619 -7.305 -7.800 1.00 0.74 C ATOM 1606 CG ASP A 109 9.931 -8.440 -6.846 1.00 1.42 C ATOM 1607 OD1 ASP A 109 10.643 -8.196 -5.844 1.00 2.21 O ATOM 1608 OD2 ASP A 109 9.481 -9.575 -7.091 1.00 1.59 O1- ATOM 0 H ASP A 109 11.618 -6.577 -6.733 1.00 0.65 H new ATOM 0 HA ASP A 109 11.164 -7.761 -9.235 1.00 0.72 H new ATOM 0 HB2 ASP A 109 9.271 -6.440 -7.236 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.807 -7.600 -8.464 1.00 0.74 H new ATOM 1613 N ASP A 110 9.986 -4.694 -9.026 1.00 0.62 N ATOM 1614 CA ASP A 110 9.622 -3.518 -9.814 1.00 0.66 C ATOM 1615 C ASP A 110 10.454 -2.322 -9.406 1.00 0.64 C ATOM 1616 O ASP A 110 10.364 -1.246 -9.998 1.00 0.78 O ATOM 1617 CB ASP A 110 8.162 -3.161 -9.598 1.00 0.68 C ATOM 1618 CG ASP A 110 7.195 -4.213 -10.111 1.00 1.43 C ATOM 1619 OD1 ASP A 110 6.825 -4.166 -11.305 1.00 1.49 O ATOM 1620 OD2 ASP A 110 6.809 -5.107 -9.326 1.00 2.37 O1- ATOM 0 H ASP A 110 9.812 -4.598 -8.026 1.00 0.62 H new ATOM 0 HA ASP A 110 9.801 -3.761 -10.861 1.00 0.66 H new ATOM 0 HB2 ASP A 110 7.988 -3.009 -8.533 1.00 0.68 H new ATOM 0 HB3 ASP A 110 7.951 -2.214 -10.094 1.00 0.68 H new ATOM 1625 N LEU A 111 11.247 -2.510 -8.373 1.00 0.56 N ATOM 1626 CA LEU A 111 11.905 -1.400 -7.711 1.00 0.60 C ATOM 1627 C LEU A 111 13.066 -0.867 -8.525 1.00 0.75 C ATOM 1628 O LEU A 111 13.556 -1.511 -9.453 1.00 0.81 O ATOM 1629 CB LEU A 111 12.382 -1.812 -6.323 1.00 0.58 C ATOM 1630 CG LEU A 111 11.287 -2.123 -5.298 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.087 -1.210 -5.471 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.867 -3.573 -5.388 1.00 0.55 C ATOM 0 H LEU A 111 11.453 -3.424 -7.971 1.00 0.56 H new ATOM 0 HA LEU A 111 11.172 -0.599 -7.613 1.00 0.60 H new ATOM 0 HB2 LEU A 111 13.016 -2.693 -6.426 1.00 0.58 H new ATOM 0 HB3 LEU A 111 13.008 -1.014 -5.925 1.00 0.58 H new ATOM 0 HG LEU A 111 11.703 -1.942 -4.307 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.330 -1.459 -4.727 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.397 -0.173 -5.340 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.671 -1.341 -6.470 1.00 0.51 H new ATOM 0 HD21 LEU A 111 10.089 -3.773 -4.652 1.00 0.55 H new ATOM 0 HD22 LEU A 111 10.483 -3.779 -6.387 1.00 0.55 H new ATOM 0 HD23 LEU A 111 11.726 -4.214 -5.190 1.00 0.55 H new ATOM 1644 N ASP A 112 13.488 0.317 -8.150 1.00 0.86 N ATOM 1645 CA ASP A 112 14.512 1.052 -8.872 1.00 1.05 C ATOM 1646 C ASP A 112 15.471 1.695 -7.892 1.00 1.03 C ATOM 1647 O ASP A 112 16.669 1.808 -8.155 1.00 1.16 O ATOM 1648 CB ASP A 112 13.858 2.131 -9.735 1.00 1.26 C ATOM 1649 CG ASP A 112 14.861 3.029 -10.434 1.00 1.52 C ATOM 1650 OD1 ASP A 112 15.383 2.634 -11.496 1.00 1.68 O ATOM 1651 OD2 ASP A 112 15.146 4.130 -9.917 1.00 1.61 O1- ATOM 0 H ASP A 112 13.131 0.806 -7.329 1.00 0.86 H new ATOM 0 HA ASP A 112 15.063 0.363 -9.512 1.00 1.05 H new ATOM 0 HB2 ASP A 112 13.225 1.654 -10.483 1.00 1.26 H new ATOM 0 HB3 ASP A 112 13.208 2.742 -9.109 1.00 1.26 H new ATOM 1656 N TYR A 113 14.931 2.103 -6.751 1.00 0.96 N ATOM 1657 CA TYR A 113 15.705 2.804 -5.749 1.00 1.04 C ATOM 1658 C TYR A 113 16.817 1.910 -5.201 1.00 1.23 C ATOM 1659 O TYR A 113 16.518 0.790 -4.734 1.00 1.72 O ATOM 1660 CB TYR A 113 14.784 3.323 -4.636 1.00 0.90 C ATOM 1661 CG TYR A 113 14.302 2.282 -3.645 1.00 1.26 C ATOM 1662 CD1 TYR A 113 14.838 2.180 -2.362 1.00 2.09 C ATOM 1663 CD2 TYR A 113 13.305 1.385 -4.009 1.00 1.41 C ATOM 1664 CE1 TYR A 113 14.385 1.217 -1.479 1.00 2.87 C ATOM 1665 CE2 TYR A 113 12.851 0.425 -3.133 1.00 2.14 C ATOM 1666 CZ TYR A 113 13.441 0.402 -1.787 1.00 2.88 C ATOM 1667 OH TYR A 113 12.925 -0.606 -0.995 1.00 3.71 O ATOM 1668 OXT TYR A 113 17.995 2.323 -5.253 1.00 1.79 O ATOM 0 H TYR A 113 13.953 1.957 -6.500 1.00 0.96 H new ATOM 0 HA TYR A 113 16.185 3.667 -6.211 1.00 1.04 H new ATOM 0 HB2 TYR A 113 15.311 4.104 -4.088 1.00 0.90 H new ATOM 0 HB3 TYR A 113 13.914 3.790 -5.097 1.00 0.90 H new ATOM 0 HD1 TYR A 113 15.617 2.862 -2.054 1.00 2.09 H new ATOM 0 HD2 TYR A 113 12.878 1.442 -4.999 1.00 1.41 H new ATOM 0 HE1 TYR A 113 14.838 1.148 -0.501 1.00 2.87 H new ATOM 0 HE2 TYR A 113 12.090 -0.284 -3.424 1.00 2.14 H new ATOM 0 HH TYR A 113 13.004 -0.353 -0.051 1.00 3.71 H new TER 1678 TYR A 113