USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 142 LYS NZ :NH3+ -128:sc= 0.0115 (180deg=0) USER MOD Set 1.2: A 144 ASN : amide:sc= -0.0499 K(o=-0.038,f=-1) USER MOD Set 2.1: A 81 HIS : no HD1:sc=-0.00996 X(o=-0.02,f=0.02) USER MOD Set 2.2: A 124 TYR OH : rot 180:sc=-0.00977 USER MOD Set 3.1: A 106 CYS SG : rot 162:sc= 1.22 USER MOD Set 3.2: A 110 SER OG : rot 82:sc= 1.09 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 MET CE :methyl -163:sc= -0.102 (180deg=-0.498) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.56! C(o=-2.6!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= 1.31 (180deg=1.09) USER MOD Single : A 74 CYS SG : rot 66:sc= 0.0791 USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.217) USER MOD Single : A 76 MET CE :methyl 166:sc= -3.13! (180deg=-3.57!) USER MOD Single : A 77 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.1) USER MOD Single : A 78 THR OG1 : rot -56:sc= 1.26 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.5!) USER MOD Single : A 92 GLN : amide:sc= -4.21! C(o=-4.2!,f=-5.9!) USER MOD Single : A 93 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.39) USER MOD Single : A 96 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-8.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -35:sc= 0.718 USER MOD Single : A 107 ASN : amide:sc=-0.00313 X(o=-0.0031,f=-0.3) USER MOD Single : A 114 SER OG : rot 93:sc= 1 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -20:sc= -3.59! USER MOD Single : A 128 ASN :FLIP amide:sc= -0.647 F(o=-3!,f=-0.65) USER MOD Single : A 131 CYS SG : rot 130:sc= 0.0524 USER MOD Single : A 132 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 135 LYS NZ :NH3+ -163:sc= -0.0439 (180deg=-0.327) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.271 F(o=-1.3,f=0.27) USER MOD Single : A 138 SER OG : rot 8:sc= 1.27 USER MOD Single : A 140 LYS NZ :NH3+ -171:sc= -0.0148 (180deg=-0.146) USER MOD Single : A 141 LYS NZ :NH3+ -166:sc= -0.0445 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -29.269 -9.081 -0.638 1.00 11.48 N ATOM 2 CA GLY A 51 -28.135 -8.985 -1.588 1.00 11.08 C ATOM 3 C GLY A 51 -27.501 -7.612 -1.565 1.00 10.43 C ATOM 4 O GLY A 51 -28.117 -6.655 -1.083 1.00 10.45 O ATOM 0 HA2 GLY A 51 -27.386 -9.736 -1.338 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -28.485 -9.208 -2.596 1.00 11.08 H new ATOM 10 N SER A 52 -26.265 -7.528 -2.064 1.00 10.08 N ATOM 11 CA SER A 52 -25.510 -6.271 -2.156 1.00 9.69 C ATOM 12 C SER A 52 -25.067 -5.771 -0.778 1.00 9.02 C ATOM 13 O SER A 52 -23.873 -5.674 -0.497 1.00 8.98 O ATOM 14 CB SER A 52 -26.328 -5.186 -2.871 1.00 10.27 C ATOM 15 OG SER A 52 -26.734 -5.608 -4.165 1.00 10.53 O ATOM 0 H SER A 52 -25.754 -8.336 -2.419 1.00 10.08 H new ATOM 0 HA SER A 52 -24.616 -6.481 -2.743 1.00 9.69 H new ATOM 0 HB2 SER A 52 -27.207 -4.940 -2.275 1.00 10.27 H new ATOM 0 HB3 SER A 52 -25.734 -4.276 -2.954 1.00 10.27 H new ATOM 0 HG SER A 52 -27.254 -4.896 -4.593 1.00 10.53 H new ATOM 21 N HIS A 53 -26.036 -5.461 0.073 1.00 8.73 N ATOM 22 CA HIS A 53 -25.757 -4.935 1.404 1.00 8.32 C ATOM 23 C HIS A 53 -25.299 -6.039 2.342 1.00 7.73 C ATOM 24 O HIS A 53 -25.306 -7.218 1.975 1.00 7.87 O ATOM 25 CB HIS A 53 -26.996 -4.253 1.986 1.00 8.73 C ATOM 26 CG HIS A 53 -27.383 -2.991 1.284 1.00 9.23 C ATOM 27 ND1 HIS A 53 -27.131 -1.758 1.834 1.00 9.69 N ATOM 28 CD2 HIS A 53 -28.012 -2.825 0.099 1.00 9.62 C ATOM 29 CE1 HIS A 53 -27.611 -0.876 0.975 1.00 10.29 C ATOM 30 NE2 HIS A 53 -28.156 -1.477 -0.091 1.00 10.28 N ATOM 0 H HIS A 53 -27.029 -5.565 -0.136 1.00 8.73 H new ATOM 0 HA HIS A 53 -24.957 -4.202 1.307 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -27.833 -4.950 1.947 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -26.815 -4.031 3.038 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -28.339 -3.607 -0.570 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -27.569 0.194 1.115 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -28.594 -1.019 -0.890 1.00 10.28 H new ATOM 38 N MET A 54 -24.929 -5.643 3.558 1.00 7.35 N ATOM 39 CA MET A 54 -24.423 -6.566 4.571 1.00 7.08 C ATOM 40 C MET A 54 -23.107 -7.182 4.122 1.00 6.25 C ATOM 41 O MET A 54 -23.020 -8.388 3.883 1.00 6.50 O ATOM 42 CB MET A 54 -25.444 -7.663 4.898 1.00 7.61 C ATOM 43 CG MET A 54 -26.701 -7.148 5.577 1.00 8.34 C ATOM 44 SD MET A 54 -26.345 -6.244 7.099 1.00 8.78 S ATOM 45 CE MET A 54 -25.455 -7.484 8.039 1.00 9.55 C ATOM 0 H MET A 54 -24.972 -4.672 3.869 1.00 7.35 H new ATOM 0 HA MET A 54 -24.251 -5.992 5.482 1.00 7.08 H new ATOM 0 HB2 MET A 54 -25.723 -8.173 3.976 1.00 7.61 H new ATOM 0 HB3 MET A 54 -24.972 -8.405 5.542 1.00 7.61 H new ATOM 0 HG2 MET A 54 -27.241 -6.497 4.889 1.00 8.34 H new ATOM 0 HG3 MET A 54 -27.358 -7.988 5.802 1.00 8.34 H new ATOM 0 HE1 MET A 54 -25.432 -7.197 9.090 1.00 9.55 H new ATOM 0 HE2 MET A 54 -25.956 -8.447 7.937 1.00 9.55 H new ATOM 0 HE3 MET A 54 -24.435 -7.564 7.662 1.00 9.55 H new ATOM 55 N GLY A 55 -22.087 -6.336 4.020 1.00 5.61 N ATOM 56 CA GLY A 55 -20.772 -6.786 3.611 1.00 5.11 C ATOM 57 C GLY A 55 -20.687 -7.164 2.145 1.00 4.35 C ATOM 58 O GLY A 55 -21.423 -8.030 1.666 1.00 4.69 O ATOM 0 H GLY A 55 -22.151 -5.337 4.216 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -20.048 -5.998 3.817 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -20.487 -7.647 4.216 1.00 5.11 H new ATOM 62 N LYS A 56 -19.780 -6.522 1.422 1.00 3.64 N ATOM 63 CA LYS A 56 -19.513 -6.894 0.045 1.00 3.11 C ATOM 64 C LYS A 56 -18.345 -7.869 0.009 1.00 2.55 C ATOM 65 O LYS A 56 -18.353 -8.834 -0.757 1.00 2.86 O ATOM 66 CB LYS A 56 -19.200 -5.655 -0.806 1.00 3.33 C ATOM 67 CG LYS A 56 -18.596 -5.977 -2.168 1.00 3.32 C ATOM 68 CD LYS A 56 -19.555 -6.762 -3.047 1.00 4.10 C ATOM 69 CE LYS A 56 -18.902 -7.144 -4.365 1.00 4.54 C ATOM 70 NZ LYS A 56 -19.798 -7.961 -5.221 1.00 5.01 N ATOM 0 H LYS A 56 -19.219 -5.743 1.768 1.00 3.64 H new ATOM 0 HA LYS A 56 -20.400 -7.370 -0.373 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -20.118 -5.086 -0.952 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -18.511 -5.014 -0.256 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -18.321 -5.050 -2.670 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -17.679 -6.550 -2.031 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -19.879 -7.662 -2.524 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -20.447 -6.166 -3.239 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -18.616 -6.240 -4.902 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -17.986 -7.700 -4.166 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -19.310 -8.197 -6.108 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -20.051 -8.837 -4.721 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -20.661 -7.422 -5.434 1.00 5.01 H new ATOM 84 N LYS A 57 -17.367 -7.628 0.878 1.00 2.28 N ATOM 85 CA LYS A 57 -16.164 -8.449 0.962 1.00 1.87 C ATOM 86 C LYS A 57 -15.230 -7.852 2.004 1.00 1.72 C ATOM 87 O LYS A 57 -14.787 -8.543 2.917 1.00 2.48 O ATOM 88 CB LYS A 57 -15.463 -8.555 -0.394 1.00 1.84 C ATOM 89 CG LYS A 57 -15.028 -9.972 -0.713 1.00 2.16 C ATOM 90 CD LYS A 57 -14.504 -10.106 -2.129 1.00 2.61 C ATOM 91 CE LYS A 57 -14.385 -11.569 -2.514 1.00 3.28 C ATOM 92 NZ LYS A 57 -13.909 -11.751 -3.908 1.00 3.67 N ATOM 0 H LYS A 57 -17.387 -6.856 1.545 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.446 -9.460 1.257 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -16.135 -8.200 -1.175 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.591 -7.900 -0.401 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -14.253 -10.279 -0.010 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -15.871 -10.649 -0.574 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -15.173 -9.595 -2.821 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -13.531 -9.622 -2.211 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -13.697 -12.067 -1.830 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -15.355 -12.052 -2.398 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -13.844 -12.766 -4.123 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -14.577 -11.300 -4.565 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -12.971 -11.314 -4.014 1.00 3.67 H new ATOM 106 N CYS A 58 -14.993 -6.550 1.865 1.00 1.35 N ATOM 107 CA CYS A 58 -14.211 -5.743 2.815 1.00 1.14 C ATOM 108 C CYS A 58 -12.816 -6.312 3.104 1.00 0.88 C ATOM 109 O CYS A 58 -12.660 -7.355 3.743 1.00 1.38 O ATOM 110 CB CYS A 58 -14.988 -5.567 4.122 1.00 1.36 C ATOM 111 SG CYS A 58 -14.278 -4.347 5.252 1.00 1.88 S ATOM 0 H CYS A 58 -15.344 -6.010 1.074 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.055 -4.775 2.338 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -16.011 -5.274 3.886 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.041 -6.529 4.632 1.00 1.36 H new ATOM 0 HG CYS A 58 -15.009 -4.272 6.324 1.00 1.88 H new ATOM 117 N TYR A 59 -11.803 -5.587 2.658 1.00 0.42 N ATOM 118 CA TYR A 59 -10.421 -5.974 2.898 1.00 0.31 C ATOM 119 C TYR A 59 -9.680 -4.933 3.723 1.00 0.30 C ATOM 120 O TYR A 59 -8.472 -4.850 3.622 1.00 0.33 O ATOM 121 CB TYR A 59 -9.672 -6.191 1.586 1.00 0.67 C ATOM 122 CG TYR A 59 -10.103 -7.430 0.850 1.00 1.01 C ATOM 123 CD1 TYR A 59 -9.540 -8.666 1.129 1.00 1.26 C ATOM 124 CD2 TYR A 59 -11.076 -7.359 -0.120 1.00 1.22 C ATOM 125 CE1 TYR A 59 -9.940 -9.797 0.453 1.00 1.58 C ATOM 126 CE2 TYR A 59 -11.486 -8.481 -0.803 1.00 1.56 C ATOM 127 CZ TYR A 59 -10.916 -9.701 -0.513 1.00 1.66 C ATOM 128 OH TYR A 59 -11.321 -10.827 -1.188 1.00 2.04 O ATOM 0 H TYR A 59 -11.912 -4.724 2.126 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.454 -6.910 3.456 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.823 -5.324 0.943 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.603 -6.253 1.792 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -8.776 -8.743 1.888 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -11.527 -6.405 -0.350 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -9.491 -10.753 0.679 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -12.250 -8.405 -1.562 1.00 1.56 H new ATOM 0 HH TYR A 59 -11.222 -11.610 -0.607 1.00 2.04 H new ATOM 138 N LYS A 60 -10.377 -4.128 4.525 1.00 0.29 N ATOM 139 CA LYS A 60 -9.677 -3.109 5.305 1.00 0.29 C ATOM 140 C LYS A 60 -8.722 -3.764 6.287 1.00 0.25 C ATOM 141 O LYS A 60 -7.570 -3.371 6.382 1.00 0.26 O ATOM 142 CB LYS A 60 -10.648 -2.125 5.989 1.00 0.37 C ATOM 143 CG LYS A 60 -11.030 -2.420 7.423 1.00 0.57 C ATOM 144 CD LYS A 60 -9.967 -1.957 8.408 1.00 0.43 C ATOM 145 CE LYS A 60 -10.388 -2.232 9.837 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.424 -1.666 10.815 1.00 1.62 N ATOM 0 H LYS A 60 -11.389 -4.158 4.650 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.085 -2.504 4.618 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -10.202 -1.131 5.955 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.562 -2.085 5.397 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -11.975 -1.929 7.654 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.190 -3.492 7.541 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -9.027 -2.467 8.199 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.787 -0.890 8.278 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.376 -1.807 10.013 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.472 -3.308 9.990 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -9.747 -1.875 11.781 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.487 -2.090 10.664 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.363 -0.636 10.686 1.00 1.62 H new ATOM 160 N LEU A 61 -9.197 -4.771 7.004 1.00 0.25 N ATOM 161 CA LEU A 61 -8.339 -5.562 7.858 1.00 0.25 C ATOM 162 C LEU A 61 -7.163 -6.088 7.071 1.00 0.26 C ATOM 163 O LEU A 61 -6.010 -5.915 7.454 1.00 0.30 O ATOM 164 CB LEU A 61 -9.112 -6.740 8.417 1.00 0.30 C ATOM 165 CG LEU A 61 -9.129 -6.814 9.931 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.647 -8.164 10.397 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.742 -6.532 10.495 1.00 0.63 C ATOM 0 H LEU A 61 -10.176 -5.057 7.008 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.984 -4.929 8.671 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.139 -6.690 8.056 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.681 -7.661 8.025 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.808 -6.049 10.307 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.651 -8.196 11.487 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.661 -8.312 10.026 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -9.001 -8.954 10.013 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.773 -6.589 11.583 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -7.037 -7.270 10.113 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.422 -5.535 10.193 1.00 0.63 H new ATOM 179 N GLU A 62 -7.491 -6.719 5.962 1.00 0.25 N ATOM 180 CA GLU A 62 -6.529 -7.290 5.069 1.00 0.29 C ATOM 181 C GLU A 62 -5.498 -6.274 4.612 1.00 0.23 C ATOM 182 O GLU A 62 -4.305 -6.500 4.740 1.00 0.20 O ATOM 183 CB GLU A 62 -7.284 -7.857 3.889 1.00 0.39 C ATOM 184 CG GLU A 62 -7.737 -9.274 4.118 1.00 0.63 C ATOM 185 CD GLU A 62 -9.053 -9.362 4.862 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.043 -9.326 6.111 1.00 1.98 O ATOM 187 OE2 GLU A 62 -10.109 -9.468 4.202 1.00 2.20 O ATOM 0 H GLU A 62 -8.456 -6.847 5.659 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.973 -8.072 5.586 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.152 -7.231 3.683 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.648 -7.821 3.004 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.835 -9.778 3.157 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.971 -9.808 4.681 1.00 0.63 H new ATOM 194 N ASN A 63 -5.968 -5.155 4.099 1.00 0.22 N ATOM 195 CA ASN A 63 -5.105 -4.160 3.498 1.00 0.19 C ATOM 196 C ASN A 63 -4.323 -3.384 4.541 1.00 0.15 C ATOM 197 O ASN A 63 -3.144 -3.118 4.346 1.00 0.16 O ATOM 198 CB ASN A 63 -5.924 -3.215 2.632 1.00 0.21 C ATOM 199 CG ASN A 63 -6.566 -3.933 1.463 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.057 -4.945 0.997 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.690 -3.418 0.985 1.00 0.27 N ATOM 0 H ASN A 63 -6.958 -4.910 4.087 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.380 -4.682 2.873 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.698 -2.745 3.239 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.283 -2.416 2.260 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.163 -3.866 0.201 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.082 -2.573 1.402 1.00 0.27 H new ATOM 208 N GLU A 64 -4.970 -3.022 5.638 1.00 0.15 N ATOM 209 CA GLU A 64 -4.282 -2.443 6.767 1.00 0.16 C ATOM 210 C GLU A 64 -3.139 -3.350 7.200 1.00 0.14 C ATOM 211 O GLU A 64 -2.016 -2.908 7.424 1.00 0.17 O ATOM 212 CB GLU A 64 -5.273 -2.266 7.883 1.00 0.21 C ATOM 213 CG GLU A 64 -6.025 -0.961 7.779 1.00 0.30 C ATOM 214 CD GLU A 64 -6.052 -0.346 6.391 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.101 0.397 6.052 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.040 -0.561 5.666 1.00 1.75 O ATOM 0 H GLU A 64 -5.977 -3.122 5.765 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.858 -1.476 6.498 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.982 -3.094 7.871 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.751 -2.307 8.839 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -7.051 -1.123 8.108 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.578 -0.245 8.469 1.00 0.30 H new ATOM 223 N LYS A 65 -3.451 -4.635 7.287 1.00 0.13 N ATOM 224 CA LYS A 65 -2.510 -5.645 7.637 1.00 0.14 C ATOM 225 C LYS A 65 -1.413 -5.783 6.584 1.00 0.12 C ATOM 226 O LYS A 65 -0.233 -5.663 6.896 1.00 0.14 O ATOM 227 CB LYS A 65 -3.255 -6.939 7.818 1.00 0.20 C ATOM 228 CG LYS A 65 -2.338 -8.099 7.873 1.00 0.44 C ATOM 229 CD LYS A 65 -2.822 -9.134 8.857 1.00 0.86 C ATOM 230 CE LYS A 65 -1.868 -10.314 8.955 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.619 -9.969 9.687 1.00 1.93 N ATOM 0 H LYS A 65 -4.389 -4.994 7.109 1.00 0.13 H new ATOM 0 HA LYS A 65 -2.011 -5.370 8.566 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.841 -6.895 8.736 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.959 -7.071 6.996 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.255 -8.547 6.883 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.340 -7.763 8.156 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -2.935 -8.676 9.840 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -3.808 -9.488 8.556 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.367 -11.141 9.461 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.616 -10.659 7.952 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -0.172 -10.839 10.040 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.036 -9.479 9.045 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.847 -9.347 10.489 1.00 1.93 H new ATOM 245 N LEU A 66 -1.815 -6.020 5.339 1.00 0.11 N ATOM 246 CA LEU A 66 -0.877 -6.197 4.236 1.00 0.10 C ATOM 247 C LEU A 66 0.022 -4.977 4.098 1.00 0.08 C ATOM 248 O LEU A 66 1.215 -5.102 3.834 1.00 0.08 O ATOM 249 CB LEU A 66 -1.633 -6.435 2.929 1.00 0.10 C ATOM 250 CG LEU A 66 -2.419 -7.743 2.851 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.377 -7.716 1.670 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.464 -8.915 2.732 1.00 0.17 C ATOM 0 H LEU A 66 -2.795 -6.094 5.067 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.257 -7.067 4.451 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.324 -5.607 2.774 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.918 -6.412 2.107 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.003 -7.858 3.764 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.929 -8.655 1.628 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.076 -6.888 1.788 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.813 -7.586 0.747 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.032 -9.843 2.677 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.862 -8.804 1.830 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.810 -8.941 3.603 1.00 0.17 H new ATOM 264 N PHE A 67 -0.562 -3.801 4.280 1.00 0.07 N ATOM 265 CA PHE A 67 0.190 -2.566 4.267 1.00 0.06 C ATOM 266 C PHE A 67 1.287 -2.600 5.318 1.00 0.06 C ATOM 267 O PHE A 67 2.425 -2.276 5.026 1.00 0.07 O ATOM 268 CB PHE A 67 -0.734 -1.376 4.506 1.00 0.08 C ATOM 269 CG PHE A 67 -0.007 -0.074 4.554 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.839 0.274 3.525 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.163 0.793 5.622 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.526 1.477 3.554 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.516 1.990 5.658 1.00 0.12 C ATOM 274 CZ PHE A 67 1.362 2.332 4.622 1.00 0.09 C ATOM 0 H PHE A 67 -1.562 -3.682 4.439 1.00 0.07 H new ATOM 0 HA PHE A 67 0.652 -2.456 3.286 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.482 -1.339 3.714 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.270 -1.522 5.444 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.968 -0.396 2.688 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.823 0.528 6.434 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.187 1.743 2.743 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.387 2.660 6.495 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.896 3.271 4.649 1.00 0.09 H new ATOM 284 N GLU A 68 0.937 -3.008 6.530 1.00 0.08 N ATOM 285 CA GLU A 68 1.915 -3.129 7.609 1.00 0.09 C ATOM 286 C GLU A 68 2.966 -4.151 7.271 1.00 0.10 C ATOM 287 O GLU A 68 4.153 -3.936 7.499 1.00 0.12 O ATOM 288 CB GLU A 68 1.234 -3.532 8.884 1.00 0.14 C ATOM 289 CG GLU A 68 0.253 -2.502 9.308 1.00 0.21 C ATOM 290 CD GLU A 68 0.902 -1.250 9.855 1.00 0.87 C ATOM 291 OE1 GLU A 68 1.635 -0.571 9.113 1.00 1.19 O ATOM 292 OE2 GLU A 68 0.680 -0.949 11.048 1.00 1.47 O ATOM 0 H GLU A 68 -0.015 -3.261 6.793 1.00 0.08 H new ATOM 0 HA GLU A 68 2.392 -2.157 7.736 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.727 -4.487 8.744 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.977 -3.677 9.668 1.00 0.14 H new ATOM 0 HG2 GLU A 68 -0.375 -2.236 8.458 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.403 -2.926 10.069 1.00 0.21 H new ATOM 299 N GLU A 69 2.518 -5.259 6.708 1.00 0.10 N ATOM 300 CA GLU A 69 3.417 -6.339 6.306 1.00 0.12 C ATOM 301 C GLU A 69 4.477 -5.787 5.368 1.00 0.11 C ATOM 302 O GLU A 69 5.661 -6.112 5.458 1.00 0.14 O ATOM 303 CB GLU A 69 2.641 -7.428 5.565 1.00 0.15 C ATOM 304 CG GLU A 69 1.465 -8.011 6.325 1.00 0.25 C ATOM 305 CD GLU A 69 1.877 -8.963 7.425 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.583 -9.950 7.130 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.507 -8.715 8.593 1.00 1.21 O ATOM 0 H GLU A 69 1.533 -5.440 6.516 1.00 0.10 H new ATOM 0 HA GLU A 69 3.876 -6.761 7.200 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.277 -7.016 4.624 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.329 -8.236 5.315 1.00 0.15 H new ATOM 0 HG2 GLU A 69 0.881 -7.198 6.757 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.813 -8.535 5.626 1.00 0.25 H new ATOM 314 N PHE A 70 4.015 -4.927 4.485 1.00 0.09 N ATOM 315 CA PHE A 70 4.833 -4.316 3.474 1.00 0.09 C ATOM 316 C PHE A 70 5.639 -3.169 4.087 1.00 0.08 C ATOM 317 O PHE A 70 6.823 -3.013 3.807 1.00 0.10 O ATOM 318 CB PHE A 70 3.909 -3.833 2.362 1.00 0.09 C ATOM 319 CG PHE A 70 4.579 -3.122 1.237 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.836 -1.776 1.338 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.926 -3.788 0.074 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.428 -1.092 0.307 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.528 -3.110 -0.969 1.00 0.13 C ATOM 324 CZ PHE A 70 5.778 -1.756 -0.851 1.00 0.13 C ATOM 0 H PHE A 70 3.039 -4.631 4.454 1.00 0.09 H new ATOM 0 HA PHE A 70 5.550 -5.025 3.060 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.374 -4.693 1.959 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.163 -3.168 2.796 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.568 -1.249 2.242 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.725 -4.845 -0.019 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.620 -0.033 0.401 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.802 -3.636 -1.872 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.246 -1.219 -1.663 1.00 0.13 H new ATOM 334 N LEU A 71 4.968 -2.375 4.918 1.00 0.07 N ATOM 335 CA LEU A 71 5.580 -1.268 5.628 1.00 0.08 C ATOM 336 C LEU A 71 6.755 -1.715 6.482 1.00 0.08 C ATOM 337 O LEU A 71 7.860 -1.200 6.351 1.00 0.09 O ATOM 338 CB LEU A 71 4.544 -0.563 6.504 1.00 0.09 C ATOM 339 CG LEU A 71 4.086 0.787 5.971 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.642 1.708 7.084 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.198 1.426 5.192 1.00 0.10 C ATOM 0 H LEU A 71 3.974 -2.488 5.116 1.00 0.07 H new ATOM 0 HA LEU A 71 5.960 -0.575 4.877 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.675 -1.212 6.611 1.00 0.09 H new ATOM 0 HB3 LEU A 71 4.963 -0.424 7.501 1.00 0.09 H new ATOM 0 HG LEU A 71 3.228 0.617 5.320 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.323 2.661 6.662 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.811 1.253 7.623 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.472 1.875 7.771 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.867 2.392 4.812 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.062 1.568 5.841 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.474 0.782 4.357 1.00 0.10 H new ATOM 353 N GLU A 72 6.499 -2.660 7.368 1.00 0.08 N ATOM 354 CA GLU A 72 7.543 -3.211 8.226 1.00 0.11 C ATOM 355 C GLU A 72 8.641 -3.827 7.388 1.00 0.09 C ATOM 356 O GLU A 72 9.822 -3.697 7.701 1.00 0.12 O ATOM 357 CB GLU A 72 6.970 -4.239 9.183 1.00 0.19 C ATOM 358 CG GLU A 72 5.817 -3.676 9.966 1.00 0.26 C ATOM 359 CD GLU A 72 5.255 -4.640 10.985 1.00 0.59 C ATOM 360 OE1 GLU A 72 4.610 -5.631 10.588 1.00 1.13 O ATOM 361 OE2 GLU A 72 5.469 -4.413 12.195 1.00 0.89 O ATOM 0 H GLU A 72 5.575 -3.066 7.516 1.00 0.08 H new ATOM 0 HA GLU A 72 7.966 -2.397 8.814 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.639 -5.114 8.624 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.748 -4.574 9.869 1.00 0.19 H new ATOM 0 HG2 GLU A 72 6.142 -2.769 10.476 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.025 -3.387 9.275 1.00 0.26 H new ATOM 368 N LEU A 73 8.238 -4.498 6.322 1.00 0.10 N ATOM 369 CA LEU A 73 9.193 -4.997 5.333 1.00 0.11 C ATOM 370 C LEU A 73 10.050 -3.854 4.812 1.00 0.10 C ATOM 371 O LEU A 73 11.268 -3.973 4.737 1.00 0.12 O ATOM 372 CB LEU A 73 8.476 -5.661 4.154 1.00 0.14 C ATOM 373 CG LEU A 73 9.398 -6.156 3.038 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.839 -7.582 3.286 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.731 -6.045 1.685 1.00 0.46 C ATOM 0 H LEU A 73 7.262 -4.712 6.115 1.00 0.10 H new ATOM 0 HA LEU A 73 9.821 -5.740 5.825 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.896 -6.505 4.528 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.767 -4.950 3.731 1.00 0.14 H new ATOM 0 HG LEU A 73 10.280 -5.516 3.039 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.493 -7.907 2.477 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.378 -7.637 4.232 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.964 -8.231 3.328 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.412 -6.404 0.913 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.822 -6.647 1.677 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.478 -5.003 1.489 1.00 0.46 H new ATOM 387 N CYS A 74 9.412 -2.746 4.464 1.00 0.09 N ATOM 388 CA CYS A 74 10.136 -1.570 4.002 1.00 0.10 C ATOM 389 C CYS A 74 11.113 -1.092 5.068 1.00 0.11 C ATOM 390 O CYS A 74 12.270 -0.825 4.771 1.00 0.14 O ATOM 391 CB CYS A 74 9.169 -0.455 3.614 1.00 0.10 C ATOM 392 SG CYS A 74 8.117 -0.874 2.213 1.00 0.11 S ATOM 0 H CYS A 74 8.398 -2.636 4.492 1.00 0.09 H new ATOM 0 HA CYS A 74 10.705 -1.846 3.114 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.540 -0.215 4.472 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.739 0.443 3.375 1.00 0.10 H new ATOM 0 HG CYS A 74 7.319 -1.845 2.545 1.00 0.11 H new ATOM 398 N LYS A 75 10.668 -1.055 6.323 1.00 0.11 N ATOM 399 CA LYS A 75 11.524 -0.645 7.435 1.00 0.12 C ATOM 400 C LYS A 75 12.759 -1.548 7.520 1.00 0.13 C ATOM 401 O LYS A 75 13.771 -1.192 8.128 1.00 0.16 O ATOM 402 CB LYS A 75 10.737 -0.708 8.747 1.00 0.13 C ATOM 403 CG LYS A 75 9.417 0.027 8.702 1.00 0.18 C ATOM 404 CD LYS A 75 8.597 -0.250 9.945 1.00 0.20 C ATOM 405 CE LYS A 75 7.199 0.317 9.813 1.00 0.30 C ATOM 406 NZ LYS A 75 6.383 0.100 11.036 1.00 0.32 N ATOM 0 H LYS A 75 9.717 -1.305 6.596 1.00 0.11 H new ATOM 0 HA LYS A 75 11.854 0.380 7.264 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.552 -1.752 8.999 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.348 -0.290 9.547 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.596 1.098 8.612 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.857 -0.278 7.818 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.542 -1.325 10.116 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.089 0.186 10.814 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.261 1.385 9.605 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.701 -0.145 8.960 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.375 0.201 10.803 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.559 -0.856 11.405 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 6.644 0.803 11.757 1.00 0.32 H new ATOM 420 N MET A 76 12.658 -2.718 6.902 1.00 0.12 N ATOM 421 CA MET A 76 13.743 -3.680 6.876 1.00 0.13 C ATOM 422 C MET A 76 14.636 -3.499 5.646 1.00 0.14 C ATOM 423 O MET A 76 15.855 -3.632 5.743 1.00 0.16 O ATOM 424 CB MET A 76 13.172 -5.098 6.909 1.00 0.14 C ATOM 425 CG MET A 76 12.405 -5.400 8.183 1.00 0.15 C ATOM 426 SD MET A 76 12.056 -7.157 8.401 1.00 0.21 S ATOM 427 CE MET A 76 10.952 -7.457 7.025 1.00 0.40 C ATOM 0 H MET A 76 11.820 -3.023 6.406 1.00 0.12 H new ATOM 0 HA MET A 76 14.363 -3.512 7.756 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.512 -5.238 6.053 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.987 -5.814 6.804 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.977 -5.041 9.038 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.465 -4.848 8.174 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.845 -8.531 6.872 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.976 -7.022 7.240 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.362 -7.001 6.124 1.00 0.40 H new ATOM 437 N GLN A 77 14.045 -3.192 4.491 1.00 0.14 N ATOM 438 CA GLN A 77 14.793 -3.135 3.245 1.00 0.15 C ATOM 439 C GLN A 77 15.242 -1.712 2.888 1.00 0.16 C ATOM 440 O GLN A 77 16.272 -1.529 2.237 1.00 0.22 O ATOM 441 CB GLN A 77 13.926 -3.636 2.097 1.00 0.19 C ATOM 442 CG GLN A 77 12.944 -4.726 2.444 1.00 0.21 C ATOM 443 CD GLN A 77 13.592 -6.071 2.627 1.00 0.38 C ATOM 444 OE1 GLN A 77 14.622 -6.378 2.036 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.969 -6.875 3.445 1.00 0.25 N ATOM 0 H GLN A 77 13.052 -2.980 4.397 1.00 0.14 H new ATOM 0 HA GLN A 77 15.675 -3.759 3.390 1.00 0.15 H new ATOM 0 HB2 GLN A 77 13.372 -2.790 1.689 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.580 -4.001 1.305 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.419 -4.455 3.360 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.194 -4.795 1.656 1.00 0.21 H new ATOM 0 HE21 GLN A 77 12.115 -6.568 3.910 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.336 -7.811 3.619 1.00 0.25 H new ATOM 454 N THR A 78 14.482 -0.707 3.309 1.00 0.17 N ATOM 455 CA THR A 78 14.639 0.637 2.766 1.00 0.22 C ATOM 456 C THR A 78 15.501 1.502 3.665 1.00 0.30 C ATOM 457 O THR A 78 15.147 2.635 3.974 1.00 0.32 O ATOM 458 CB THR A 78 13.281 1.353 2.546 1.00 0.17 C ATOM 459 OG1 THR A 78 12.625 1.593 3.793 1.00 0.14 O ATOM 460 CG2 THR A 78 12.361 0.547 1.646 1.00 0.22 C ATOM 0 H THR A 78 13.756 -0.796 4.020 1.00 0.17 H new ATOM 0 HA THR A 78 15.126 0.508 1.799 1.00 0.22 H new ATOM 0 HB THR A 78 13.499 2.304 2.060 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.518 0.746 4.275 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.420 1.081 1.516 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.835 0.405 0.675 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.167 -0.424 2.101 1.00 0.22 H new ATOM 468 N ALA A 79 16.620 0.961 4.109 1.00 0.38 N ATOM 469 CA ALA A 79 17.598 1.725 4.862 1.00 0.50 C ATOM 470 C ALA A 79 17.960 3.037 4.177 1.00 0.52 C ATOM 471 O ALA A 79 18.126 4.064 4.833 1.00 0.55 O ATOM 472 CB ALA A 79 18.838 0.888 5.039 1.00 0.67 C ATOM 0 H ALA A 79 16.876 -0.015 3.959 1.00 0.38 H new ATOM 0 HA ALA A 79 17.159 1.976 5.828 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.580 1.452 5.604 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.587 -0.024 5.580 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.245 0.630 4.061 1.00 0.67 H new ATOM 478 N ASP A 80 18.087 3.003 2.855 1.00 0.53 N ATOM 479 CA ASP A 80 18.464 4.184 2.088 1.00 0.57 C ATOM 480 C ASP A 80 17.280 5.130 1.932 1.00 0.52 C ATOM 481 O ASP A 80 17.438 6.308 1.614 1.00 0.57 O ATOM 482 CB ASP A 80 18.982 3.750 0.715 1.00 0.65 C ATOM 483 CG ASP A 80 19.444 4.905 -0.152 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.432 5.576 0.217 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.810 5.163 -1.195 1.00 1.46 O ATOM 0 H ASP A 80 17.934 2.167 2.291 1.00 0.53 H new ATOM 0 HA ASP A 80 19.250 4.717 2.622 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.810 3.055 0.852 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.194 3.208 0.193 1.00 0.65 H new ATOM 490 N HIS A 81 16.093 4.603 2.170 1.00 0.43 N ATOM 491 CA HIS A 81 14.866 5.393 2.074 1.00 0.38 C ATOM 492 C HIS A 81 13.978 5.183 3.293 1.00 0.29 C ATOM 493 O HIS A 81 12.901 4.604 3.189 1.00 0.23 O ATOM 494 CB HIS A 81 14.077 5.035 0.809 1.00 0.41 C ATOM 495 CG HIS A 81 14.670 5.550 -0.468 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.136 6.605 -1.178 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.737 5.125 -1.185 1.00 0.70 C ATOM 498 CE1 HIS A 81 14.843 6.799 -2.274 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.818 5.915 -2.301 1.00 0.86 N ATOM 0 H HIS A 81 15.946 3.628 2.432 1.00 0.43 H new ATOM 0 HA HIS A 81 15.163 6.441 2.027 1.00 0.38 H new ATOM 0 HB2 HIS A 81 13.995 3.950 0.744 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.064 5.426 0.907 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.401 4.314 -0.925 1.00 0.70 H new ATOM 0 HE1 HIS A 81 14.654 7.555 -3.022 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.521 5.832 -3.035 1.00 0.86 H new ATOM 508 N PRO A 82 14.410 5.650 4.470 1.00 0.32 N ATOM 509 CA PRO A 82 13.624 5.520 5.694 1.00 0.29 C ATOM 510 C PRO A 82 12.340 6.340 5.640 1.00 0.26 C ATOM 511 O PRO A 82 11.352 6.008 6.291 1.00 0.29 O ATOM 512 CB PRO A 82 14.557 6.038 6.786 1.00 0.38 C ATOM 513 CG PRO A 82 15.567 6.878 6.091 1.00 0.44 C ATOM 514 CD PRO A 82 15.697 6.325 4.704 1.00 0.41 C ATOM 0 HA PRO A 82 13.298 4.494 5.862 1.00 0.29 H new ATOM 0 HB2 PRO A 82 14.008 6.619 7.526 1.00 0.38 H new ATOM 0 HB3 PRO A 82 15.033 5.214 7.317 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.252 7.921 6.065 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.524 6.846 6.613 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.872 7.115 3.974 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.533 5.629 4.628 1.00 0.41 H new ATOM 522 N GLU A 83 12.360 7.395 4.830 1.00 0.23 N ATOM 523 CA GLU A 83 11.201 8.266 4.647 1.00 0.21 C ATOM 524 C GLU A 83 10.082 7.532 3.920 1.00 0.17 C ATOM 525 O GLU A 83 8.936 7.980 3.906 1.00 0.18 O ATOM 526 CB GLU A 83 11.599 9.483 3.824 1.00 0.28 C ATOM 527 CG GLU A 83 11.492 9.224 2.336 1.00 0.46 C ATOM 528 CD GLU A 83 11.934 10.395 1.490 1.00 0.55 C ATOM 529 OE1 GLU A 83 11.145 11.351 1.331 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.081 10.380 1.001 1.00 0.95 O ATOM 0 H GLU A 83 13.176 7.670 4.284 1.00 0.23 H new ATOM 0 HA GLU A 83 10.848 8.573 5.632 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.961 10.325 4.092 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.622 9.767 4.069 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.096 8.353 2.082 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.459 8.978 2.091 1.00 0.46 H new ATOM 537 N VAL A 84 10.432 6.410 3.320 1.00 0.15 N ATOM 538 CA VAL A 84 9.522 5.660 2.491 1.00 0.14 C ATOM 539 C VAL A 84 8.340 5.156 3.294 1.00 0.11 C ATOM 540 O VAL A 84 7.215 5.168 2.819 1.00 0.11 O ATOM 541 CB VAL A 84 10.267 4.501 1.804 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.415 3.266 1.706 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.739 4.936 0.432 1.00 0.21 C ATOM 0 H VAL A 84 11.361 5.996 3.397 1.00 0.15 H new ATOM 0 HA VAL A 84 9.129 6.322 1.719 1.00 0.14 H new ATOM 0 HB VAL A 84 11.131 4.245 2.417 1.00 0.15 H new ATOM 0 HG11 VAL A 84 9.979 2.473 1.215 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.128 2.942 2.706 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.519 3.487 1.126 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.266 4.112 -0.050 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.880 5.222 -0.175 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.412 5.788 0.532 1.00 0.21 H new ATOM 553 N VAL A 85 8.598 4.740 4.516 1.00 0.09 N ATOM 554 CA VAL A 85 7.551 4.277 5.393 1.00 0.09 C ATOM 555 C VAL A 85 6.584 5.401 5.764 1.00 0.10 C ATOM 556 O VAL A 85 5.388 5.259 5.568 1.00 0.10 O ATOM 557 CB VAL A 85 8.152 3.634 6.640 1.00 0.10 C ATOM 558 CG1 VAL A 85 7.100 3.408 7.696 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.846 2.346 6.247 1.00 0.11 C ATOM 0 H VAL A 85 9.532 4.714 4.924 1.00 0.09 H new ATOM 0 HA VAL A 85 6.973 3.524 4.857 1.00 0.09 H new ATOM 0 HB VAL A 85 8.889 4.307 7.077 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.557 2.949 8.573 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.655 4.363 7.977 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.326 2.749 7.303 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.278 1.881 7.133 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.123 1.666 5.796 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.637 2.563 5.529 1.00 0.11 H new ATOM 569 N PRO A 86 7.077 6.525 6.311 1.00 0.12 N ATOM 570 CA PRO A 86 6.258 7.716 6.527 1.00 0.14 C ATOM 571 C PRO A 86 5.502 8.137 5.263 1.00 0.14 C ATOM 572 O PRO A 86 4.343 8.537 5.332 1.00 0.18 O ATOM 573 CB PRO A 86 7.249 8.808 6.924 1.00 0.18 C ATOM 574 CG PRO A 86 8.575 8.150 7.109 1.00 0.18 C ATOM 575 CD PRO A 86 8.440 6.687 6.812 1.00 0.14 C ATOM 0 HA PRO A 86 5.497 7.530 7.285 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.305 9.577 6.153 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.932 9.301 7.843 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.315 8.602 6.448 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.928 8.296 8.130 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.173 6.366 6.072 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.605 6.086 7.706 1.00 0.14 H new ATOM 583 N PHE A 87 6.163 8.018 4.113 1.00 0.13 N ATOM 584 CA PHE A 87 5.576 8.373 2.821 1.00 0.14 C ATOM 585 C PHE A 87 4.500 7.364 2.449 1.00 0.12 C ATOM 586 O PHE A 87 3.463 7.708 1.876 1.00 0.12 O ATOM 587 CB PHE A 87 6.682 8.381 1.755 1.00 0.18 C ATOM 588 CG PHE A 87 6.300 8.975 0.427 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.033 9.470 0.208 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.228 9.044 -0.598 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.689 10.026 -1.006 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.892 9.596 -1.818 1.00 1.01 C ATOM 593 CZ PHE A 87 5.620 10.090 -2.023 1.00 0.69 C ATOM 0 H PHE A 87 7.121 7.673 4.050 1.00 0.13 H new ATOM 0 HA PHE A 87 5.122 9.362 2.882 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.536 8.933 2.147 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.013 7.355 1.592 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.299 9.422 0.999 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.226 8.662 -0.442 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.692 10.411 -1.161 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.624 9.641 -2.611 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.354 10.525 -2.975 1.00 0.69 H new ATOM 603 N LEU A 88 4.733 6.135 2.857 1.00 0.10 N ATOM 604 CA LEU A 88 3.837 5.046 2.566 1.00 0.09 C ATOM 605 C LEU A 88 2.639 5.196 3.452 1.00 0.08 C ATOM 606 O LEU A 88 1.487 5.116 3.024 1.00 0.09 O ATOM 607 CB LEU A 88 4.519 3.725 2.891 1.00 0.09 C ATOM 608 CG LEU A 88 5.063 2.955 1.709 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.897 1.796 2.194 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.927 2.459 0.844 1.00 0.10 C ATOM 0 H LEU A 88 5.553 5.866 3.401 1.00 0.10 H new ATOM 0 HA LEU A 88 3.554 5.058 1.513 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.340 3.922 3.581 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.806 3.090 3.417 1.00 0.09 H new ATOM 0 HG LEU A 88 5.691 3.616 1.112 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.286 1.245 1.338 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.727 2.171 2.793 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.281 1.134 2.802 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.330 1.906 -0.004 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.282 1.805 1.430 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.348 3.308 0.481 1.00 0.10 H new ATOM 622 N TYR A 89 2.962 5.447 4.706 1.00 0.08 N ATOM 623 CA TYR A 89 2.005 5.612 5.750 1.00 0.09 C ATOM 624 C TYR A 89 1.075 6.757 5.402 1.00 0.09 C ATOM 625 O TYR A 89 -0.136 6.631 5.459 1.00 0.11 O ATOM 626 CB TYR A 89 2.753 5.930 7.046 1.00 0.10 C ATOM 627 CG TYR A 89 2.473 4.969 8.150 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.190 4.550 8.373 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.481 4.495 8.969 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.887 3.678 9.382 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.205 3.616 9.989 1.00 0.20 C ATOM 632 CZ TYR A 89 1.900 3.205 10.199 1.00 0.22 C ATOM 633 OH TYR A 89 1.612 2.333 11.224 1.00 0.27 O ATOM 0 H TYR A 89 3.927 5.542 5.021 1.00 0.08 H new ATOM 0 HA TYR A 89 1.418 4.702 5.873 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.824 5.936 6.845 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.484 6.934 7.373 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.398 4.917 7.737 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.498 4.819 8.805 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.133 3.361 9.540 1.00 0.19 H new ATOM 0 HE2 TYR A 89 4.000 3.249 10.621 1.00 0.20 H new ATOM 0 HH TYR A 89 2.438 2.100 11.697 1.00 0.27 H new ATOM 643 N ASN A 90 1.691 7.866 5.027 1.00 0.09 N ATOM 644 CA ASN A 90 1.004 9.064 4.568 1.00 0.09 C ATOM 645 C ASN A 90 -0.012 8.735 3.497 1.00 0.09 C ATOM 646 O ASN A 90 -1.201 8.962 3.665 1.00 0.10 O ATOM 647 CB ASN A 90 2.080 10.016 4.037 1.00 0.11 C ATOM 648 CG ASN A 90 1.667 10.916 2.888 1.00 0.24 C ATOM 649 OD1 ASN A 90 1.097 11.982 3.089 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.013 10.515 1.673 1.00 0.40 N ATOM 0 H ASN A 90 2.707 7.961 5.033 1.00 0.09 H new ATOM 0 HA ASN A 90 0.449 9.527 5.384 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.418 10.645 4.861 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.936 9.422 3.717 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.806 11.101 0.864 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.486 9.620 1.547 1.00 0.40 H new ATOM 657 N ARG A 91 0.474 8.173 2.419 1.00 0.08 N ATOM 658 CA ARG A 91 -0.363 7.778 1.294 1.00 0.10 C ATOM 659 C ARG A 91 -1.534 6.933 1.754 1.00 0.09 C ATOM 660 O ARG A 91 -2.667 7.148 1.333 1.00 0.11 O ATOM 661 CB ARG A 91 0.457 7.003 0.264 1.00 0.13 C ATOM 662 CG ARG A 91 1.345 7.880 -0.588 1.00 0.16 C ATOM 663 CD ARG A 91 0.507 8.836 -1.411 1.00 0.29 C ATOM 664 NE ARG A 91 1.327 9.807 -2.134 1.00 0.88 N ATOM 665 CZ ARG A 91 1.248 11.127 -1.974 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.387 11.650 -1.105 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.030 11.925 -2.689 1.00 1.64 N ATOM 0 H ARG A 91 1.465 7.972 2.288 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.751 8.687 0.834 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.075 6.269 0.782 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.221 6.448 -0.385 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.030 8.441 0.047 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.955 7.261 -1.246 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.094 8.270 -2.122 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.187 9.364 -0.757 1.00 0.29 H new ATOM 0 HE ARG A 91 2.005 9.449 -2.806 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.218 11.039 -0.556 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.332 12.662 -0.988 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.689 11.527 -3.358 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.972 12.936 -2.569 1.00 1.64 H new ATOM 681 N GLN A 92 -1.257 5.988 2.635 1.00 0.09 N ATOM 682 CA GLN A 92 -2.276 5.097 3.134 1.00 0.12 C ATOM 683 C GLN A 92 -3.245 5.828 4.041 1.00 0.11 C ATOM 684 O GLN A 92 -4.461 5.695 3.919 1.00 0.13 O ATOM 685 CB GLN A 92 -1.642 3.973 3.916 1.00 0.18 C ATOM 686 CG GLN A 92 -2.668 2.976 4.347 1.00 0.35 C ATOM 687 CD GLN A 92 -2.779 1.810 3.408 1.00 0.42 C ATOM 688 OE1 GLN A 92 -2.409 1.908 2.246 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.351 0.723 3.885 1.00 0.36 N ATOM 0 H GLN A 92 -0.327 5.822 3.019 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.818 4.701 2.275 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.886 3.481 3.304 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.132 4.376 4.791 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.417 2.611 5.343 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -3.637 3.469 4.423 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.643 0.687 4.862 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.501 -0.083 3.278 1.00 0.36 H new ATOM 698 N GLN A 93 -2.685 6.599 4.953 1.00 0.12 N ATOM 699 CA GLN A 93 -3.462 7.302 5.952 1.00 0.14 C ATOM 700 C GLN A 93 -4.386 8.323 5.300 1.00 0.16 C ATOM 701 O GLN A 93 -5.479 8.597 5.795 1.00 0.20 O ATOM 702 CB GLN A 93 -2.527 7.980 6.959 1.00 0.15 C ATOM 703 CG GLN A 93 -1.849 7.001 7.906 1.00 0.15 C ATOM 704 CD GLN A 93 -2.771 5.908 8.404 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.494 6.075 9.386 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.699 4.758 7.757 1.00 0.22 N ATOM 0 H GLN A 93 -1.679 6.755 5.021 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.084 6.581 6.482 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.764 8.538 6.417 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.096 8.704 7.542 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -0.999 6.545 7.398 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.453 7.549 8.761 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.085 4.666 6.947 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.257 3.963 8.067 1.00 0.22 H new ATOM 715 N ARG A 94 -3.930 8.887 4.193 1.00 0.14 N ATOM 716 CA ARG A 94 -4.694 9.892 3.472 1.00 0.15 C ATOM 717 C ARG A 94 -5.465 9.286 2.293 1.00 0.14 C ATOM 718 O ARG A 94 -6.129 10.005 1.538 1.00 0.19 O ATOM 719 CB ARG A 94 -3.730 10.972 3.000 1.00 0.21 C ATOM 720 CG ARG A 94 -2.709 11.321 4.066 1.00 0.76 C ATOM 721 CD ARG A 94 -1.681 12.306 3.569 1.00 0.64 C ATOM 722 NE ARG A 94 -2.246 13.600 3.198 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.525 14.597 2.685 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.219 14.440 2.485 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.101 15.753 2.381 1.00 1.40 N ATOM 0 H ARG A 94 -3.028 8.664 3.772 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.443 10.322 4.137 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -3.215 10.632 2.101 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -4.291 11.866 2.727 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -3.220 11.738 4.933 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -2.208 10.412 4.398 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -0.929 12.456 4.343 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.170 11.881 2.705 1.00 0.64 H new ATOM 0 HE ARG A 94 -3.245 13.749 3.339 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.231 13.556 2.724 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.332 15.203 2.092 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -3.100 15.882 2.540 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.544 16.512 1.989 1.00 1.40 H new ATOM 739 N ALA A 95 -5.386 7.967 2.143 1.00 0.12 N ATOM 740 CA ALA A 95 -6.120 7.262 1.087 1.00 0.12 C ATOM 741 C ALA A 95 -7.589 7.107 1.451 1.00 0.13 C ATOM 742 O ALA A 95 -7.998 7.401 2.577 1.00 0.17 O ATOM 743 CB ALA A 95 -5.525 5.885 0.835 1.00 0.13 C ATOM 0 H ALA A 95 -4.821 7.361 2.738 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.036 7.863 0.181 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.088 5.384 0.048 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.485 5.989 0.527 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.575 5.294 1.749 1.00 0.13 H new ATOM 749 N HIS A 96 -8.385 6.648 0.490 1.00 0.12 N ATOM 750 CA HIS A 96 -9.796 6.382 0.714 1.00 0.13 C ATOM 751 C HIS A 96 -9.970 5.142 1.560 1.00 0.13 C ATOM 752 O HIS A 96 -9.552 4.057 1.167 1.00 0.12 O ATOM 753 CB HIS A 96 -10.503 6.174 -0.621 1.00 0.14 C ATOM 754 CG HIS A 96 -11.943 6.567 -0.598 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.805 6.055 0.336 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.612 7.440 -1.390 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.972 6.620 0.097 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.904 7.466 -0.938 1.00 0.25 N ATOM 0 H HIS A 96 -8.069 6.452 -0.460 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.229 7.237 1.233 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -9.989 6.751 -1.390 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.425 5.125 -0.905 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.205 8.005 -2.216 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.870 6.425 0.665 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.669 8.024 -1.318 1.00 0.25 H new ATOM 766 N SER A 97 -10.589 5.310 2.722 1.00 0.16 N ATOM 767 CA SER A 97 -10.859 4.199 3.615 1.00 0.20 C ATOM 768 C SER A 97 -11.638 3.088 2.910 1.00 0.18 C ATOM 769 O SER A 97 -11.441 1.911 3.206 1.00 0.18 O ATOM 770 CB SER A 97 -11.621 4.693 4.844 1.00 0.29 C ATOM 771 OG SER A 97 -10.905 5.729 5.499 1.00 1.32 O ATOM 0 H SER A 97 -10.914 6.213 3.066 1.00 0.16 H new ATOM 0 HA SER A 97 -9.905 3.778 3.931 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.604 5.057 4.546 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.783 3.865 5.534 1.00 0.29 H new ATOM 0 HG SER A 97 -11.411 6.032 6.282 1.00 1.32 H new ATOM 777 N LEU A 98 -12.522 3.458 1.978 1.00 0.18 N ATOM 778 CA LEU A 98 -13.225 2.478 1.153 1.00 0.18 C ATOM 779 C LEU A 98 -12.262 1.685 0.302 1.00 0.15 C ATOM 780 O LEU A 98 -12.377 0.473 0.185 1.00 0.18 O ATOM 781 CB LEU A 98 -14.209 3.170 0.227 1.00 0.21 C ATOM 782 CG LEU A 98 -15.533 3.575 0.853 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.453 4.117 -0.221 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.179 2.401 1.573 1.00 0.61 C ATOM 0 H LEU A 98 -12.766 4.428 1.778 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.750 1.807 1.833 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.732 4.063 -0.178 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.414 2.508 -0.615 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.349 4.353 1.594 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.403 4.408 0.227 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.992 4.986 -0.690 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.627 3.348 -0.973 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.125 2.719 2.012 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.361 1.594 0.863 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.514 2.047 2.361 1.00 0.61 H new ATOM 796 N PHE A 99 -11.318 2.387 -0.289 1.00 0.12 N ATOM 797 CA PHE A 99 -10.314 1.759 -1.133 1.00 0.11 C ATOM 798 C PHE A 99 -9.398 0.889 -0.284 1.00 0.11 C ATOM 799 O PHE A 99 -9.013 -0.210 -0.679 1.00 0.12 O ATOM 800 CB PHE A 99 -9.494 2.807 -1.883 1.00 0.12 C ATOM 801 CG PHE A 99 -8.306 2.223 -2.586 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.482 1.368 -3.654 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.019 2.516 -2.167 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.398 0.810 -4.300 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.929 1.965 -2.807 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.119 1.110 -3.875 1.00 0.18 C ATOM 0 H PHE A 99 -11.222 3.399 -0.202 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.824 1.138 -1.869 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.132 3.307 -2.612 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.156 3.568 -1.180 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.481 1.132 -3.989 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.868 3.183 -1.331 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.549 0.141 -5.135 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.929 2.201 -2.474 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.267 0.676 -4.378 1.00 0.18 H new ATOM 816 N LEU A 100 -9.071 1.390 0.889 1.00 0.12 N ATOM 817 CA LEU A 100 -8.269 0.645 1.846 1.00 0.14 C ATOM 818 C LEU A 100 -9.018 -0.602 2.300 1.00 0.16 C ATOM 819 O LEU A 100 -8.426 -1.553 2.783 1.00 0.21 O ATOM 820 CB LEU A 100 -7.938 1.525 3.041 1.00 0.17 C ATOM 821 CG LEU A 100 -7.264 2.842 2.695 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.319 3.781 3.882 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.836 2.593 2.265 1.00 0.22 C ATOM 0 H LEU A 100 -9.350 2.318 1.208 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.340 0.338 1.367 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.859 1.736 3.585 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.289 0.967 3.716 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.794 3.311 1.866 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.833 4.722 3.624 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.359 3.970 4.148 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.804 3.327 4.729 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.360 3.542 2.019 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.290 2.113 3.077 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.828 1.945 1.389 1.00 0.22 H new ATOM 835 N ALA A 101 -10.330 -0.587 2.135 1.00 0.16 N ATOM 836 CA ALA A 101 -11.147 -1.753 2.437 1.00 0.19 C ATOM 837 C ALA A 101 -11.665 -2.402 1.161 1.00 0.21 C ATOM 838 O ALA A 101 -12.526 -3.283 1.210 1.00 0.37 O ATOM 839 CB ALA A 101 -12.314 -1.373 3.339 1.00 0.23 C ATOM 0 H ALA A 101 -10.853 0.219 1.794 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.518 -2.473 2.960 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.912 -2.259 3.553 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.933 -0.959 4.272 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.934 -0.629 2.838 1.00 0.23 H new ATOM 845 N SER A 102 -11.135 -1.987 0.017 1.00 0.13 N ATOM 846 CA SER A 102 -11.616 -2.498 -1.252 1.00 0.15 C ATOM 847 C SER A 102 -10.730 -3.627 -1.760 1.00 0.17 C ATOM 848 O SER A 102 -9.559 -3.748 -1.382 1.00 0.25 O ATOM 849 CB SER A 102 -11.706 -1.377 -2.287 1.00 0.18 C ATOM 850 OG SER A 102 -10.422 -0.972 -2.731 1.00 1.40 O ATOM 0 H SER A 102 -10.380 -1.305 -0.054 1.00 0.13 H new ATOM 0 HA SER A 102 -12.616 -2.901 -1.093 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.297 -1.714 -3.139 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.228 -0.523 -1.855 1.00 0.18 H new ATOM 0 HG SER A 102 -9.784 -1.036 -1.990 1.00 1.40 H new ATOM 856 N ALA A 103 -11.319 -4.460 -2.604 1.00 0.20 N ATOM 857 CA ALA A 103 -10.631 -5.594 -3.196 1.00 0.21 C ATOM 858 C ALA A 103 -9.406 -5.163 -3.985 1.00 0.18 C ATOM 859 O ALA A 103 -8.382 -5.845 -3.972 1.00 0.19 O ATOM 860 CB ALA A 103 -11.580 -6.353 -4.099 1.00 0.27 C ATOM 0 H ALA A 103 -12.291 -4.367 -2.898 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.294 -6.239 -2.385 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.060 -7.203 -4.541 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.429 -6.710 -3.516 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.935 -5.693 -4.891 1.00 0.27 H new ATOM 866 N GLU A 104 -9.519 -4.038 -4.682 1.00 0.17 N ATOM 867 CA GLU A 104 -8.432 -3.551 -5.524 1.00 0.17 C ATOM 868 C GLU A 104 -7.145 -3.355 -4.736 1.00 0.14 C ATOM 869 O GLU A 104 -6.075 -3.746 -5.192 1.00 0.14 O ATOM 870 CB GLU A 104 -8.805 -2.252 -6.202 1.00 0.22 C ATOM 871 CG GLU A 104 -7.959 -1.977 -7.425 1.00 0.30 C ATOM 872 CD GLU A 104 -8.370 -0.716 -8.156 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.884 0.379 -7.803 1.00 1.70 O ATOM 874 OE2 GLU A 104 -9.187 -0.816 -9.098 1.00 1.29 O ATOM 0 H GLU A 104 -10.350 -3.447 -4.681 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.261 -4.317 -6.281 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.856 -2.284 -6.490 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.694 -1.431 -5.494 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.914 -1.893 -7.126 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.029 -2.825 -8.107 1.00 0.30 H new ATOM 881 N PHE A 105 -7.235 -2.760 -3.555 1.00 0.13 N ATOM 882 CA PHE A 105 -6.051 -2.530 -2.750 1.00 0.13 C ATOM 883 C PHE A 105 -5.491 -3.857 -2.259 1.00 0.12 C ATOM 884 O PHE A 105 -4.281 -4.037 -2.198 1.00 0.13 O ATOM 885 CB PHE A 105 -6.367 -1.612 -1.571 1.00 0.13 C ATOM 886 CG PHE A 105 -5.141 -1.139 -0.857 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.964 -0.956 -1.558 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.157 -0.875 0.501 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.825 -0.517 -0.921 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.021 -0.438 1.140 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.855 -0.257 0.427 1.00 0.14 C ATOM 0 H PHE A 105 -8.107 -2.432 -3.139 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.300 -2.038 -3.368 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.928 -0.749 -1.929 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -7.010 -2.141 -0.867 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.937 -1.160 -2.618 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.069 -1.013 1.063 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.911 -0.378 -1.480 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.042 -0.236 2.201 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.964 0.090 0.929 1.00 0.14 H new ATOM 901 N CYS A 106 -6.379 -4.794 -1.946 1.00 0.13 N ATOM 902 CA CYS A 106 -5.963 -6.132 -1.542 1.00 0.15 C ATOM 903 C CYS A 106 -5.168 -6.764 -2.667 1.00 0.15 C ATOM 904 O CYS A 106 -4.115 -7.371 -2.452 1.00 0.16 O ATOM 905 CB CYS A 106 -7.185 -6.995 -1.198 1.00 0.19 C ATOM 906 SG CYS A 106 -6.784 -8.709 -0.782 1.00 0.29 S ATOM 0 H CYS A 106 -7.389 -4.652 -1.964 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.339 -6.063 -0.651 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.712 -6.542 -0.358 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.871 -6.989 -2.045 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.780 -9.245 -0.141 1.00 0.29 H new ATOM 912 N ASN A 107 -5.696 -6.600 -3.865 1.00 0.14 N ATOM 913 CA ASN A 107 -5.038 -7.016 -5.090 1.00 0.16 C ATOM 914 C ASN A 107 -3.648 -6.417 -5.182 1.00 0.15 C ATOM 915 O ASN A 107 -2.652 -7.129 -5.235 1.00 0.17 O ATOM 916 CB ASN A 107 -5.862 -6.533 -6.281 1.00 0.18 C ATOM 917 CG ASN A 107 -6.049 -7.598 -7.335 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.165 -8.419 -7.572 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.208 -7.591 -7.973 1.00 0.34 N ATOM 0 H ASN A 107 -6.607 -6.168 -4.017 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.955 -8.103 -5.093 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.839 -6.201 -5.930 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.373 -5.668 -6.728 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.397 -8.286 -8.695 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.913 -6.890 -7.743 1.00 0.34 H new ATOM 926 N ILE A 108 -3.609 -5.096 -5.141 1.00 0.13 N ATOM 927 CA ILE A 108 -2.394 -4.323 -5.342 1.00 0.13 C ATOM 928 C ILE A 108 -1.352 -4.652 -4.279 1.00 0.11 C ATOM 929 O ILE A 108 -0.170 -4.828 -4.572 1.00 0.12 O ATOM 930 CB ILE A 108 -2.763 -2.828 -5.283 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.562 -2.442 -6.526 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.538 -1.949 -5.128 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.372 -1.178 -6.353 1.00 0.17 C ATOM 0 H ILE A 108 -4.433 -4.521 -4.964 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.960 -4.570 -6.311 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.381 -2.666 -4.400 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.876 -2.313 -7.363 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.232 -3.261 -6.786 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.843 -0.903 -5.091 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.018 -2.209 -4.206 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.871 -2.102 -5.976 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.914 -0.964 -7.274 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.082 -1.310 -5.537 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.705 -0.347 -6.123 1.00 0.17 H new ATOM 945 N LEU A 109 -1.827 -4.752 -3.058 1.00 0.09 N ATOM 946 CA LEU A 109 -1.003 -5.066 -1.906 1.00 0.08 C ATOM 947 C LEU A 109 -0.381 -6.439 -2.005 1.00 0.09 C ATOM 948 O LEU A 109 0.833 -6.599 -1.879 1.00 0.10 O ATOM 949 CB LEU A 109 -1.851 -4.974 -0.662 1.00 0.08 C ATOM 950 CG LEU A 109 -1.742 -3.633 0.037 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.713 -3.549 1.176 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.334 -3.417 0.531 1.00 0.07 C ATOM 0 H LEU A 109 -2.812 -4.616 -2.831 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.185 -4.347 -1.866 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.893 -5.155 -0.926 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.556 -5.762 0.030 1.00 0.08 H new ATOM 0 HG LEU A 109 -1.987 -2.849 -0.680 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.618 -2.579 1.664 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.728 -3.667 0.798 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.499 -4.339 1.895 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.268 -2.451 1.031 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.069 -4.208 1.233 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.355 -3.436 -0.314 1.00 0.07 H new ATOM 964 N SER A 110 -1.217 -7.425 -2.231 1.00 0.10 N ATOM 965 CA SER A 110 -0.761 -8.791 -2.375 1.00 0.12 C ATOM 966 C SER A 110 0.220 -8.895 -3.538 1.00 0.12 C ATOM 967 O SER A 110 1.177 -9.669 -3.495 1.00 0.14 O ATOM 968 CB SER A 110 -1.955 -9.699 -2.584 1.00 0.15 C ATOM 969 OG SER A 110 -2.857 -9.614 -1.491 1.00 1.15 O ATOM 0 H SER A 110 -2.226 -7.306 -2.320 1.00 0.10 H new ATOM 0 HA SER A 110 -0.241 -9.103 -1.469 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.468 -9.424 -3.506 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.617 -10.729 -2.702 1.00 0.15 H new ATOM 0 HG SER A 110 -3.436 -8.832 -1.605 1.00 1.15 H new ATOM 975 N ARG A 111 -0.026 -8.095 -4.570 1.00 0.11 N ATOM 976 CA ARG A 111 0.881 -7.976 -5.693 1.00 0.12 C ATOM 977 C ARG A 111 2.255 -7.499 -5.247 1.00 0.11 C ATOM 978 O ARG A 111 3.253 -8.188 -5.442 1.00 0.13 O ATOM 979 CB ARG A 111 0.315 -6.989 -6.699 1.00 0.16 C ATOM 980 CG ARG A 111 -0.884 -7.501 -7.473 1.00 0.26 C ATOM 981 CD ARG A 111 -0.513 -8.555 -8.496 1.00 0.99 C ATOM 982 NE ARG A 111 -0.174 -9.841 -7.890 1.00 1.81 N ATOM 983 CZ ARG A 111 0.013 -10.957 -8.590 1.00 2.57 C ATOM 984 NH1 ARG A 111 -0.143 -10.954 -9.908 1.00 2.67 N ATOM 985 NH2 ARG A 111 0.329 -12.082 -7.965 1.00 3.55 N ATOM 0 H ARG A 111 -0.861 -7.514 -4.646 1.00 0.11 H new ATOM 0 HA ARG A 111 0.988 -8.961 -6.147 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.031 -6.077 -6.174 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.100 -6.719 -7.406 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.611 -7.918 -6.775 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.369 -6.666 -7.978 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.345 -8.693 -9.187 1.00 0.99 H new ATOM 0 HD3 ARG A 111 0.334 -8.201 -9.084 1.00 0.99 H new ATOM 0 HE ARG A 111 -0.075 -9.885 -6.876 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.407 -10.094 -10.388 1.00 2.67 H new ATOM 0 HH12 ARG A 111 0.001 -11.812 -10.441 1.00 2.67 H new ATOM 0 HH21 ARG A 111 0.428 -12.091 -6.950 1.00 3.55 H new ATOM 0 HH22 ARG A 111 0.473 -12.939 -8.499 1.00 3.55 H new ATOM 999 N VAL A 112 2.293 -6.329 -4.620 1.00 0.10 N ATOM 1000 CA VAL A 112 3.558 -5.694 -4.281 1.00 0.10 C ATOM 1001 C VAL A 112 4.316 -6.455 -3.222 1.00 0.11 C ATOM 1002 O VAL A 112 5.514 -6.618 -3.336 1.00 0.12 O ATOM 1003 CB VAL A 112 3.397 -4.235 -3.825 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.184 -3.339 -5.017 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.261 -4.073 -2.844 1.00 0.10 C ATOM 0 H VAL A 112 1.465 -5.804 -4.338 1.00 0.10 H new ATOM 0 HA VAL A 112 4.129 -5.704 -5.209 1.00 0.10 H new ATOM 0 HB VAL A 112 4.316 -3.947 -3.315 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.071 -2.308 -4.682 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.042 -3.412 -5.685 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.284 -3.648 -5.548 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.182 -3.027 -2.548 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.328 -4.389 -3.312 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.451 -4.686 -1.963 1.00 0.10 H new ATOM 1015 N LEU A 113 3.620 -6.915 -2.203 1.00 0.10 N ATOM 1016 CA LEU A 113 4.251 -7.659 -1.126 1.00 0.11 C ATOM 1017 C LEU A 113 4.984 -8.881 -1.649 1.00 0.12 C ATOM 1018 O LEU A 113 6.174 -9.067 -1.406 1.00 0.14 O ATOM 1019 CB LEU A 113 3.195 -8.079 -0.123 1.00 0.11 C ATOM 1020 CG LEU A 113 3.117 -7.178 1.087 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.727 -6.588 1.218 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.511 -7.945 2.330 1.00 0.28 C ATOM 0 H LEU A 113 2.614 -6.788 -2.095 1.00 0.10 H new ATOM 0 HA LEU A 113 4.986 -7.013 -0.645 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.223 -8.095 -0.617 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.403 -9.097 0.206 1.00 0.11 H new ATOM 0 HG LEU A 113 3.817 -6.352 0.963 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.687 -5.941 2.095 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.493 -6.006 0.327 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.999 -7.392 1.327 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.452 -7.287 3.197 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.834 -8.788 2.467 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.531 -8.313 2.222 1.00 0.28 H new ATOM 1034 N SER A 114 4.259 -9.683 -2.394 1.00 0.13 N ATOM 1035 CA SER A 114 4.801 -10.906 -2.977 1.00 0.15 C ATOM 1036 C SER A 114 5.983 -10.598 -3.887 1.00 0.15 C ATOM 1037 O SER A 114 6.986 -11.314 -3.887 1.00 0.17 O ATOM 1038 CB SER A 114 3.710 -11.651 -3.746 1.00 0.17 C ATOM 1039 OG SER A 114 2.621 -11.965 -2.892 1.00 1.00 O ATOM 0 H SER A 114 3.278 -9.514 -2.617 1.00 0.13 H new ATOM 0 HA SER A 114 5.158 -11.544 -2.168 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.362 -11.039 -4.578 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.119 -12.566 -4.173 1.00 0.17 H new ATOM 0 HG SER A 114 1.950 -11.253 -2.943 1.00 1.00 H new ATOM 1045 N ARG A 115 5.865 -9.519 -4.646 1.00 0.13 N ATOM 1046 CA ARG A 115 6.952 -9.057 -5.486 1.00 0.14 C ATOM 1047 C ARG A 115 8.106 -8.551 -4.627 1.00 0.14 C ATOM 1048 O ARG A 115 9.267 -8.808 -4.914 1.00 0.18 O ATOM 1049 CB ARG A 115 6.462 -7.931 -6.386 1.00 0.17 C ATOM 1050 CG ARG A 115 5.506 -8.362 -7.478 1.00 0.24 C ATOM 1051 CD ARG A 115 4.913 -7.139 -8.150 1.00 0.35 C ATOM 1052 NE ARG A 115 4.082 -7.464 -9.307 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.291 -6.581 -9.915 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.176 -5.350 -9.430 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.611 -6.925 -11.002 1.00 1.83 N ATOM 0 H ARG A 115 5.022 -8.947 -4.695 1.00 0.13 H new ATOM 0 HA ARG A 115 7.301 -9.890 -6.097 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.971 -7.179 -5.769 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.325 -7.451 -6.847 1.00 0.17 H new ATOM 0 HG2 ARG A 115 6.030 -8.974 -8.212 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.712 -8.979 -7.057 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.315 -6.588 -7.424 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.721 -6.478 -8.465 1.00 0.35 H new ATOM 0 HE ARG A 115 4.109 -8.417 -9.668 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.693 -5.081 -8.593 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.571 -4.673 -9.895 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.692 -7.870 -11.377 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.007 -6.244 -11.463 1.00 1.83 H new ATOM 1069 N ALA A 116 7.755 -7.828 -3.577 1.00 0.13 N ATOM 1070 CA ALA A 116 8.730 -7.157 -2.714 1.00 0.14 C ATOM 1071 C ALA A 116 9.652 -8.139 -2.002 1.00 0.16 C ATOM 1072 O ALA A 116 10.844 -7.889 -1.863 1.00 0.18 O ATOM 1073 CB ALA A 116 8.009 -6.272 -1.711 1.00 0.15 C ATOM 0 H ALA A 116 6.786 -7.686 -3.293 1.00 0.13 H new ATOM 0 HA ALA A 116 9.364 -6.541 -3.352 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.740 -5.776 -1.072 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.423 -5.522 -2.243 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.346 -6.882 -1.098 1.00 0.15 H new ATOM 1079 N ARG A 117 9.098 -9.244 -1.542 1.00 0.19 N ATOM 1080 CA ARG A 117 9.904 -10.270 -0.889 1.00 0.24 C ATOM 1081 C ARG A 117 10.817 -10.977 -1.880 1.00 0.26 C ATOM 1082 O ARG A 117 11.839 -11.552 -1.508 1.00 0.32 O ATOM 1083 CB ARG A 117 9.022 -11.281 -0.179 1.00 0.28 C ATOM 1084 CG ARG A 117 8.553 -10.795 1.170 1.00 0.61 C ATOM 1085 CD ARG A 117 7.141 -10.236 1.125 1.00 0.34 C ATOM 1086 NE ARG A 117 6.157 -11.248 0.738 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.057 -11.526 1.437 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.873 -10.987 2.636 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.168 -12.385 0.952 1.00 2.33 N ATOM 0 H ARG A 117 8.103 -9.458 -1.605 1.00 0.19 H new ATOM 0 HA ARG A 117 10.529 -9.769 -0.150 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.156 -11.503 -0.802 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.572 -12.213 -0.054 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.593 -11.618 1.884 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.234 -10.025 1.533 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.880 -9.834 2.104 1.00 0.34 H new ATOM 0 HD3 ARG A 117 7.103 -9.406 0.419 1.00 0.34 H new ATOM 0 HE ARG A 117 6.324 -11.773 -0.120 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.575 -10.358 3.025 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.030 -11.202 3.168 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.329 -12.829 0.048 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.325 -12.601 1.484 1.00 2.33 H new ATOM 1103 N SER A 118 10.436 -10.921 -3.140 1.00 0.26 N ATOM 1104 CA SER A 118 11.207 -11.532 -4.213 1.00 0.31 C ATOM 1105 C SER A 118 12.218 -10.543 -4.749 1.00 0.28 C ATOM 1106 O SER A 118 13.338 -10.897 -5.126 1.00 0.32 O ATOM 1107 CB SER A 118 10.274 -11.951 -5.341 1.00 0.37 C ATOM 1108 OG SER A 118 10.747 -13.105 -6.012 1.00 0.68 O ATOM 0 H SER A 118 9.586 -10.453 -3.453 1.00 0.26 H new ATOM 0 HA SER A 118 11.726 -12.407 -3.821 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.280 -12.146 -4.938 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.173 -11.132 -6.053 1.00 0.37 H new ATOM 0 HG SER A 118 10.123 -13.346 -6.728 1.00 0.68 H new ATOM 1114 N ARG A 119 11.807 -9.299 -4.764 1.00 0.23 N ATOM 1115 CA ARG A 119 12.588 -8.231 -5.317 1.00 0.20 C ATOM 1116 C ARG A 119 12.601 -7.035 -4.392 1.00 0.18 C ATOM 1117 O ARG A 119 11.956 -6.024 -4.657 1.00 0.17 O ATOM 1118 CB ARG A 119 12.013 -7.849 -6.664 1.00 0.25 C ATOM 1119 CG ARG A 119 12.526 -8.709 -7.787 1.00 0.33 C ATOM 1120 CD ARG A 119 13.889 -8.233 -8.251 1.00 0.33 C ATOM 1121 NE ARG A 119 14.610 -9.282 -8.968 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.903 -9.219 -9.284 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.597 -8.110 -9.053 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.497 -10.261 -9.852 1.00 1.19 N ATOM 0 H ARG A 119 10.908 -9.000 -4.386 1.00 0.23 H new ATOM 0 HA ARG A 119 13.618 -8.567 -5.438 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.926 -7.924 -6.624 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.253 -6.807 -6.873 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.591 -9.746 -7.457 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.824 -8.684 -8.620 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.771 -7.364 -8.899 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.475 -7.911 -7.390 1.00 0.33 H new ATOM 0 HE ARG A 119 14.091 -10.115 -9.244 1.00 0.55 H new ATOM 0 HH11 ARG A 119 16.140 -7.301 -8.632 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.586 -8.067 -9.297 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.964 -11.109 -10.046 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.487 -10.214 -10.094 1.00 1.19 H new ATOM 1138 N PRO A 120 13.350 -7.138 -3.298 1.00 0.19 N ATOM 1139 CA PRO A 120 13.495 -6.053 -2.329 1.00 0.19 C ATOM 1140 C PRO A 120 14.256 -4.860 -2.910 1.00 0.20 C ATOM 1141 O PRO A 120 14.305 -3.786 -2.311 1.00 0.21 O ATOM 1142 CB PRO A 120 14.268 -6.717 -1.197 1.00 0.23 C ATOM 1143 CG PRO A 120 15.048 -7.773 -1.878 1.00 0.25 C ATOM 1144 CD PRO A 120 14.105 -8.333 -2.889 1.00 0.22 C ATOM 0 HA PRO A 120 12.540 -5.633 -2.013 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.917 -6.007 -0.685 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.598 -7.135 -0.446 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.942 -7.365 -2.350 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.379 -8.538 -1.176 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.630 -8.791 -3.727 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.457 -9.099 -2.463 1.00 0.22 H new ATOM 1152 N ALA A 121 14.848 -5.059 -4.083 1.00 0.20 N ATOM 1153 CA ALA A 121 15.453 -3.956 -4.822 1.00 0.22 C ATOM 1154 C ALA A 121 14.365 -3.199 -5.560 1.00 0.19 C ATOM 1155 O ALA A 121 14.385 -1.974 -5.668 1.00 0.21 O ATOM 1156 CB ALA A 121 16.487 -4.465 -5.805 1.00 0.25 C ATOM 0 H ALA A 121 14.922 -5.968 -4.540 1.00 0.20 H new ATOM 0 HA ALA A 121 15.956 -3.292 -4.118 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.923 -3.623 -6.343 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.271 -4.996 -5.266 1.00 0.25 H new ATOM 0 HB3 ALA A 121 16.012 -5.142 -6.515 1.00 0.25 H new ATOM 1162 N LYS A 122 13.398 -3.962 -6.037 1.00 0.16 N ATOM 1163 CA LYS A 122 12.260 -3.413 -6.741 1.00 0.16 C ATOM 1164 C LYS A 122 11.195 -2.972 -5.757 1.00 0.11 C ATOM 1165 O LYS A 122 10.131 -2.519 -6.152 1.00 0.11 O ATOM 1166 CB LYS A 122 11.688 -4.426 -7.714 1.00 0.20 C ATOM 1167 CG LYS A 122 12.660 -4.789 -8.809 1.00 0.27 C ATOM 1168 CD LYS A 122 11.971 -4.948 -10.139 1.00 0.41 C ATOM 1169 CE LYS A 122 10.849 -5.940 -10.046 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.158 -6.147 -11.341 1.00 1.07 N ATOM 0 H LYS A 122 13.382 -4.978 -5.946 1.00 0.16 H new ATOM 0 HA LYS A 122 12.596 -2.545 -7.308 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.405 -5.327 -7.170 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.778 -4.024 -8.159 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.425 -4.017 -8.886 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.169 -5.717 -8.550 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.583 -3.984 -10.470 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.691 -5.276 -10.889 1.00 0.41 H new ATOM 0 HE2 LYS A 122 11.241 -6.893 -9.692 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.127 -5.597 -9.305 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.393 -6.841 -11.219 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.758 -5.245 -11.669 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.837 -6.501 -12.044 1.00 1.07 H new ATOM 1184 N LEU A 123 11.468 -3.157 -4.469 1.00 0.10 N ATOM 1185 CA LEU A 123 10.614 -2.649 -3.412 1.00 0.08 C ATOM 1186 C LEU A 123 10.200 -1.211 -3.660 1.00 0.08 C ATOM 1187 O LEU A 123 9.049 -0.872 -3.474 1.00 0.13 O ATOM 1188 CB LEU A 123 11.327 -2.748 -2.080 1.00 0.12 C ATOM 1189 CG LEU A 123 10.524 -2.248 -0.891 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.192 -2.962 -0.809 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.308 -2.439 0.379 1.00 0.23 C ATOM 0 H LEU A 123 12.288 -3.663 -4.134 1.00 0.10 H new ATOM 0 HA LEU A 123 9.711 -3.260 -3.398 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.599 -3.789 -1.905 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.256 -2.181 -2.138 1.00 0.12 H new ATOM 0 HG LEU A 123 10.330 -1.184 -1.024 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.632 -2.590 0.049 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.624 -2.778 -1.721 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.360 -4.033 -0.696 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.724 -2.077 1.225 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.527 -3.498 0.515 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.242 -1.880 0.318 1.00 0.23 H new ATOM 1203 N TYR A 124 11.124 -0.378 -4.109 1.00 0.11 N ATOM 1204 CA TYR A 124 10.819 0.989 -4.437 1.00 0.10 C ATOM 1205 C TYR A 124 9.807 1.060 -5.557 1.00 0.11 C ATOM 1206 O TYR A 124 8.987 1.950 -5.590 1.00 0.14 O ATOM 1207 CB TYR A 124 12.099 1.710 -4.812 1.00 0.14 C ATOM 1208 CG TYR A 124 13.018 1.769 -3.643 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.468 1.915 -2.400 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.393 1.680 -3.760 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.243 1.973 -1.278 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.196 1.735 -2.642 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.615 1.882 -1.395 1.00 1.45 C ATOM 1214 OH TYR A 124 15.407 1.945 -0.273 1.00 1.89 O ATOM 0 H TYR A 124 12.100 -0.637 -4.253 1.00 0.11 H new ATOM 0 HA TYR A 124 10.377 1.478 -3.568 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.585 1.195 -5.640 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.869 2.719 -5.155 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.395 1.986 -2.304 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.841 1.566 -4.736 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.786 2.089 -0.306 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.269 1.664 -2.738 1.00 1.74 H new ATOM 0 HH TYR A 124 16.349 1.864 -0.532 1.00 1.89 H new ATOM 1224 N VAL A 125 9.818 0.074 -6.429 1.00 0.10 N ATOM 1225 CA VAL A 125 8.869 0.029 -7.524 1.00 0.12 C ATOM 1226 C VAL A 125 7.485 -0.177 -6.946 1.00 0.11 C ATOM 1227 O VAL A 125 6.507 0.441 -7.348 1.00 0.14 O ATOM 1228 CB VAL A 125 9.187 -1.140 -8.474 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.215 -1.176 -9.625 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.614 -1.052 -8.966 1.00 0.18 C ATOM 0 H VAL A 125 10.473 -0.707 -6.402 1.00 0.10 H new ATOM 0 HA VAL A 125 8.926 0.962 -8.085 1.00 0.12 H new ATOM 0 HB VAL A 125 9.079 -2.072 -7.919 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.460 -2.010 -10.282 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.202 -1.301 -9.242 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.279 -0.243 -10.184 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.820 -1.887 -9.636 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.757 -0.113 -9.501 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.295 -1.093 -8.116 1.00 0.18 H new ATOM 1240 N TYR A 126 7.461 -1.058 -5.975 1.00 0.07 N ATOM 1241 CA TYR A 126 6.261 -1.460 -5.260 1.00 0.08 C ATOM 1242 C TYR A 126 5.804 -0.370 -4.299 1.00 0.08 C ATOM 1243 O TYR A 126 4.614 -0.083 -4.187 1.00 0.10 O ATOM 1244 CB TYR A 126 6.602 -2.745 -4.520 1.00 0.11 C ATOM 1245 CG TYR A 126 7.289 -3.746 -5.415 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.971 -3.839 -6.767 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.273 -4.575 -4.917 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.619 -4.740 -7.587 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.919 -5.482 -5.732 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.588 -5.556 -7.062 1.00 0.28 C ATOM 1251 OH TYR A 126 9.214 -6.467 -7.864 1.00 0.36 O ATOM 0 H TYR A 126 8.301 -1.534 -5.646 1.00 0.07 H new ATOM 0 HA TYR A 126 5.433 -1.623 -5.950 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.246 -2.515 -3.672 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.690 -3.185 -4.117 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.207 -3.197 -7.180 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.542 -4.513 -3.873 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.365 -4.802 -8.635 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.681 -6.130 -5.325 1.00 0.27 H new ATOM 0 HH TYR A 126 8.664 -6.637 -8.657 1.00 0.36 H new ATOM 1261 N ILE A 127 6.759 0.218 -3.600 1.00 0.08 N ATOM 1262 CA ILE A 127 6.516 1.364 -2.741 1.00 0.11 C ATOM 1263 C ILE A 127 5.961 2.507 -3.558 1.00 0.12 C ATOM 1264 O ILE A 127 4.933 3.090 -3.220 1.00 0.14 O ATOM 1265 CB ILE A 127 7.826 1.808 -2.067 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.284 0.755 -1.076 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.668 3.143 -1.371 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.738 0.893 -0.719 1.00 0.13 C ATOM 0 H ILE A 127 7.732 -0.088 -3.613 1.00 0.08 H new ATOM 0 HA ILE A 127 5.796 1.081 -1.973 1.00 0.11 H new ATOM 0 HB ILE A 127 8.580 1.924 -2.846 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.682 0.828 -0.170 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.109 -0.235 -1.496 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.613 3.425 -0.906 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.381 3.901 -2.099 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.896 3.065 -0.605 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.013 0.115 -0.007 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.345 0.793 -1.619 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.912 1.872 -0.272 1.00 0.13 H new ATOM 1280 N ASN A 128 6.657 2.817 -4.641 1.00 0.12 N ATOM 1281 CA ASN A 128 6.198 3.852 -5.562 1.00 0.15 C ATOM 1282 C ASN A 128 4.831 3.484 -6.122 1.00 0.12 C ATOM 1283 O ASN A 128 3.959 4.341 -6.243 1.00 0.12 O ATOM 1284 CB ASN A 128 7.180 4.072 -6.721 1.00 0.20 C ATOM 1285 CG ASN A 128 8.494 4.745 -6.329 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.969 4.515 -5.109 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.076 5.479 -7.125 1.00 0.42 N flip ATOM 0 H ASN A 128 7.536 2.372 -4.905 1.00 0.12 H new ATOM 0 HA ASN A 128 6.133 4.781 -4.996 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.404 3.108 -7.177 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.691 4.679 -7.483 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.685 5.635 -8.054 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.950 5.932 -6.856 1.00 0.42 H new ATOM 1294 N GLU A 129 4.655 2.208 -6.458 1.00 0.11 N ATOM 1295 CA GLU A 129 3.380 1.698 -6.936 1.00 0.10 C ATOM 1296 C GLU A 129 2.273 1.991 -5.953 1.00 0.09 C ATOM 1297 O GLU A 129 1.317 2.681 -6.271 1.00 0.14 O ATOM 1298 CB GLU A 129 3.458 0.197 -7.137 1.00 0.14 C ATOM 1299 CG GLU A 129 2.824 -0.260 -8.421 1.00 0.26 C ATOM 1300 CD GLU A 129 1.417 0.255 -8.646 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.263 1.393 -9.138 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.460 -0.496 -8.367 1.00 1.55 O ATOM 0 H GLU A 129 5.391 1.504 -6.406 1.00 0.11 H new ATOM 0 HA GLU A 129 3.163 2.194 -7.882 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.503 -0.111 -7.125 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.969 -0.301 -6.300 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.451 0.058 -9.254 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.805 -1.350 -8.434 1.00 0.26 H new ATOM 1309 N LEU A 130 2.438 1.483 -4.752 1.00 0.07 N ATOM 1310 CA LEU A 130 1.429 1.599 -3.720 1.00 0.08 C ATOM 1311 C LEU A 130 1.202 3.061 -3.366 1.00 0.09 C ATOM 1312 O LEU A 130 0.074 3.483 -3.140 1.00 0.10 O ATOM 1313 CB LEU A 130 1.845 0.817 -2.486 1.00 0.08 C ATOM 1314 CG LEU A 130 0.688 0.180 -1.725 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.092 -0.972 -2.516 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.151 -0.290 -0.365 1.00 0.08 C ATOM 0 H LEU A 130 3.275 0.978 -4.462 1.00 0.07 H new ATOM 0 HA LEU A 130 0.495 1.183 -4.098 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.542 0.034 -2.785 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.384 1.484 -1.813 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.089 0.932 -1.586 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.732 -1.412 -1.954 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.277 -0.604 -3.473 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.857 -1.729 -2.689 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.315 -0.743 0.168 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.946 -1.026 -0.486 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.527 0.560 0.205 1.00 0.08 H new ATOM 1328 N CYS A 131 2.282 3.832 -3.330 1.00 0.11 N ATOM 1329 CA CYS A 131 2.184 5.269 -3.131 1.00 0.13 C ATOM 1330 C CYS A 131 1.327 5.892 -4.228 1.00 0.13 C ATOM 1331 O CYS A 131 0.434 6.690 -3.955 1.00 0.14 O ATOM 1332 CB CYS A 131 3.580 5.900 -3.133 1.00 0.18 C ATOM 1333 SG CYS A 131 3.581 7.705 -3.188 1.00 1.39 S ATOM 0 H CYS A 131 3.235 3.484 -3.436 1.00 0.11 H new ATOM 0 HA CYS A 131 1.715 5.458 -2.166 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.114 5.575 -2.240 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.135 5.522 -3.991 1.00 0.18 H new ATOM 0 HG CYS A 131 4.363 8.167 -2.258 1.00 1.39 H new ATOM 1339 N THR A 132 1.605 5.500 -5.463 1.00 0.12 N ATOM 1340 CA THR A 132 0.857 5.988 -6.618 1.00 0.14 C ATOM 1341 C THR A 132 -0.589 5.513 -6.544 1.00 0.11 C ATOM 1342 O THR A 132 -1.518 6.275 -6.779 1.00 0.15 O ATOM 1343 CB THR A 132 1.501 5.518 -7.938 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.854 5.990 -8.011 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.724 6.024 -9.142 1.00 0.24 C ATOM 0 H THR A 132 2.348 4.841 -5.694 1.00 0.12 H new ATOM 0 HA THR A 132 0.879 7.078 -6.599 1.00 0.14 H new ATOM 0 HB THR A 132 1.485 4.428 -7.952 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.444 5.367 -7.537 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.203 5.676 -10.057 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.298 5.646 -9.101 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.708 7.114 -9.133 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.749 4.245 -6.220 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.040 3.643 -5.929 1.00 0.07 C ATOM 1355 C VAL A 133 -2.842 4.463 -4.921 1.00 0.07 C ATOM 1356 O VAL A 133 -3.988 4.832 -5.173 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.826 2.222 -5.386 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.056 1.692 -4.679 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.424 1.288 -6.507 1.00 0.10 C ATOM 0 H VAL A 133 0.029 3.589 -6.150 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.612 3.613 -6.856 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.023 2.271 -4.651 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.859 0.685 -4.312 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.302 2.343 -3.840 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.894 1.666 -5.376 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.275 0.284 -6.109 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.210 1.266 -7.262 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.497 1.640 -6.959 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.231 4.760 -3.792 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.909 5.488 -2.733 1.00 0.11 C ATOM 1371 C LEU A 134 -3.125 6.942 -3.140 1.00 0.14 C ATOM 1372 O LEU A 134 -4.098 7.571 -2.735 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.096 5.392 -1.449 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.872 3.964 -0.948 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -1.007 3.960 0.297 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.200 3.287 -0.673 1.00 0.16 C ATOM 0 H LEU A 134 -1.265 4.509 -3.582 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.889 5.044 -2.559 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.127 5.863 -1.611 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.602 5.962 -0.670 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.351 3.406 -1.726 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.861 2.934 0.635 1.00 0.17 H new ATOM 0 HD12 LEU A 134 -0.040 4.408 0.069 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.497 4.535 1.083 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -3.024 2.272 -0.317 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.744 3.848 0.086 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.788 3.253 -1.590 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.219 7.454 -3.968 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.313 8.765 -4.527 1.00 0.17 C ATOM 1390 C LYS A 135 -3.460 8.795 -5.522 1.00 0.15 C ATOM 1391 O LYS A 135 -4.139 9.808 -5.697 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.982 9.055 -5.222 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.629 10.511 -5.286 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.548 11.255 -6.229 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.340 10.841 -7.681 1.00 1.32 C ATOM 1396 NZ LYS A 135 0.060 11.047 -8.133 1.00 1.82 N ATOM 0 H LYS A 135 -1.387 6.944 -4.265 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.505 9.518 -3.763 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.188 8.522 -4.699 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.019 8.656 -6.236 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.695 10.948 -4.290 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.404 10.623 -5.616 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.584 11.070 -5.945 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.377 12.327 -6.130 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.606 9.790 -7.798 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.013 11.413 -8.319 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 0.095 11.032 -9.172 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.404 11.966 -7.788 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.662 10.288 -7.755 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.677 7.656 -6.151 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.680 7.521 -7.172 1.00 0.14 C ATOM 1412 C ALA A 136 -6.060 7.455 -6.547 1.00 0.16 C ATOM 1413 O ALA A 136 -7.038 7.963 -7.099 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.403 6.260 -7.976 1.00 0.17 C ATOM 0 H ALA A 136 -3.157 6.799 -5.962 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.646 8.387 -7.833 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.160 6.150 -8.753 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.418 6.331 -8.437 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.433 5.393 -7.315 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.121 6.836 -5.379 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.384 6.562 -4.721 1.00 0.23 C ATOM 1422 C HIS A 137 -7.416 7.200 -3.336 1.00 0.24 C ATOM 1423 O HIS A 137 -7.794 6.567 -2.349 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.604 5.049 -4.635 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.290 4.335 -5.920 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -6.380 3.373 -6.199 1.00 0.29 N flip ATOM 1427 CD2 HIS A 137 -7.891 4.643 -7.121 1.00 0.30 C flip ATOM 1428 CE1 HIS A 137 -6.441 3.128 -7.543 1.00 0.32 C flip ATOM 1429 NE2 HIS A 137 -7.359 3.905 -8.078 1.00 0.34 N flip ATOM 0 H HIS A 137 -5.302 6.512 -4.865 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.193 6.998 -5.306 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.982 4.642 -3.838 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.641 4.853 -4.361 1.00 0.24 H new ATOM 0 HD1 HIS A 137 -5.762 2.915 -5.529 1.00 0.29 H new ATOM 0 HD2 HIS A 137 -8.674 5.374 -7.258 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -5.834 2.413 -8.079 1.00 0.32 H new ATOM 1438 N SER A 138 -6.986 8.452 -3.280 1.00 0.26 N ATOM 1439 CA SER A 138 -7.063 9.250 -2.080 1.00 0.30 C ATOM 1440 C SER A 138 -8.503 9.708 -1.845 1.00 0.36 C ATOM 1441 O SER A 138 -9.171 10.138 -2.785 1.00 0.56 O ATOM 1442 CB SER A 138 -6.142 10.442 -2.234 1.00 0.40 C ATOM 1443 OG SER A 138 -4.783 10.052 -2.328 1.00 1.23 O ATOM 0 H SER A 138 -6.572 8.940 -4.075 1.00 0.26 H new ATOM 0 HA SER A 138 -6.753 8.660 -1.218 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.421 11.003 -3.126 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.269 11.111 -1.383 1.00 0.40 H new ATOM 0 HG SER A 138 -4.727 9.076 -2.400 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.978 9.633 -0.608 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.391 9.862 -0.314 1.00 0.34 C ATOM 1451 C ALA A 139 -10.822 11.292 -0.623 1.00 0.72 C ATOM 1452 O ALA A 139 -11.683 11.528 -1.474 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.672 9.525 1.141 1.00 0.26 C ATOM 0 H ALA A 139 -8.407 9.416 0.209 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.975 9.208 -0.961 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.726 9.697 1.357 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.430 8.478 1.325 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.062 10.158 1.785 1.00 0.26 H new ATOM 1459 N LYS A 140 -10.209 12.244 0.059 1.00 1.04 N ATOM 1460 CA LYS A 140 -10.553 13.647 -0.114 1.00 1.45 C ATOM 1461 C LYS A 140 -9.601 14.317 -1.096 1.00 1.34 C ATOM 1462 O LYS A 140 -9.310 15.509 -0.983 1.00 1.80 O ATOM 1463 CB LYS A 140 -10.506 14.376 1.229 1.00 2.25 C ATOM 1464 CG LYS A 140 -11.476 13.830 2.264 1.00 3.01 C ATOM 1465 CD LYS A 140 -12.921 13.958 1.808 1.00 3.61 C ATOM 1466 CE LYS A 140 -13.310 15.406 1.534 1.00 4.40 C ATOM 1467 NZ LYS A 140 -13.088 16.284 2.714 1.00 4.94 N ATOM 0 H LYS A 140 -9.469 12.072 0.739 1.00 1.04 H new ATOM 0 HA LYS A 140 -11.565 13.701 -0.514 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -9.493 14.316 1.628 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -10.722 15.432 1.065 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -11.248 12.782 2.458 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -11.343 14.365 3.204 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -13.069 13.366 0.905 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -13.580 13.545 2.572 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -12.731 15.782 0.690 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -14.360 15.449 1.244 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -13.505 17.219 2.534 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -13.536 15.860 3.551 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -12.067 16.387 2.883 1.00 4.94 H new ATOM 1481 N LYS A 141 -9.116 13.551 -2.058 1.00 1.51 N ATOM 1482 CA LYS A 141 -8.146 14.061 -3.007 1.00 2.10 C ATOM 1483 C LYS A 141 -8.421 13.505 -4.404 1.00 2.90 C ATOM 1484 O LYS A 141 -7.618 12.770 -4.982 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.734 13.719 -2.527 1.00 2.17 C ATOM 1486 CG LYS A 141 -5.631 14.329 -3.365 1.00 2.04 C ATOM 1487 CD LYS A 141 -4.273 14.126 -2.721 1.00 2.31 C ATOM 1488 CE LYS A 141 -3.167 14.716 -3.574 1.00 3.03 C ATOM 1489 NZ LYS A 141 -3.045 14.021 -4.882 1.00 3.84 N ATOM 0 H LYS A 141 -9.378 12.576 -2.201 1.00 1.51 H new ATOM 0 HA LYS A 141 -8.231 15.146 -3.070 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -6.621 14.056 -1.496 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -6.616 12.635 -2.523 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -5.636 13.880 -4.358 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -5.818 15.395 -3.496 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -4.262 14.591 -1.735 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -4.093 13.061 -2.574 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -3.364 15.775 -3.742 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -2.220 14.649 -3.038 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -2.145 14.284 -5.332 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -3.069 12.992 -4.732 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -3.835 14.300 -5.498 1.00 3.84 H new ATOM 1503 N LYS A 142 -9.578 13.873 -4.929 1.00 3.43 N ATOM 1504 CA LYS A 142 -9.974 13.483 -6.281 1.00 4.37 C ATOM 1505 C LYS A 142 -9.561 14.563 -7.282 1.00 4.96 C ATOM 1506 O LYS A 142 -10.195 14.756 -8.318 1.00 5.45 O ATOM 1507 CB LYS A 142 -11.487 13.177 -6.338 1.00 5.00 C ATOM 1508 CG LYS A 142 -12.412 14.328 -5.973 1.00 5.31 C ATOM 1509 CD LYS A 142 -12.813 15.147 -7.191 1.00 5.43 C ATOM 1510 CE LYS A 142 -13.852 16.202 -6.849 1.00 6.16 C ATOM 1511 NZ LYS A 142 -14.262 16.983 -8.045 1.00 6.56 N ATOM 0 H LYS A 142 -10.266 14.445 -4.440 1.00 3.43 H new ATOM 0 HA LYS A 142 -9.455 12.565 -6.557 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -11.733 12.845 -7.346 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -11.695 12.343 -5.668 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -13.307 13.935 -5.490 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -11.917 14.975 -5.248 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -11.930 15.630 -7.610 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -13.209 14.484 -7.960 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -14.727 15.721 -6.412 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -13.449 16.878 -6.095 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -14.172 17.999 -7.844 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -13.651 16.734 -8.849 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -15.251 16.763 -8.281 1.00 6.56 H new ATOM 1525 N LEU A 143 -8.461 15.248 -6.954 1.00 5.33 N ATOM 1526 CA LEU A 143 -7.946 16.364 -7.751 1.00 6.23 C ATOM 1527 C LEU A 143 -8.896 17.552 -7.675 1.00 7.01 C ATOM 1528 O LEU A 143 -9.099 18.276 -8.649 1.00 7.76 O ATOM 1529 CB LEU A 143 -7.696 15.962 -9.215 1.00 6.61 C ATOM 1530 CG LEU A 143 -6.415 15.158 -9.480 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -6.488 13.776 -8.847 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -6.165 15.046 -10.974 1.00 6.92 C ATOM 0 H LEU A 143 -7.902 15.043 -6.126 1.00 5.33 H new ATOM 0 HA LEU A 143 -6.984 16.652 -7.328 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -8.548 15.376 -9.561 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -7.665 16.868 -9.820 1.00 6.61 H new ATOM 0 HG LEU A 143 -5.582 15.690 -9.021 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -5.566 13.232 -9.053 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -6.617 13.876 -7.769 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -7.333 13.229 -9.265 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -5.254 14.474 -11.149 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -7.007 14.541 -11.447 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -6.054 16.043 -11.400 1.00 6.92 H new ATOM 1544 N ASN A 144 -9.468 17.743 -6.494 1.00 7.08 N ATOM 1545 CA ASN A 144 -10.403 18.831 -6.258 1.00 8.03 C ATOM 1546 C ASN A 144 -9.696 19.991 -5.578 1.00 8.20 C ATOM 1547 O ASN A 144 -9.409 20.991 -6.265 1.00 8.61 O ATOM 1548 CB ASN A 144 -11.588 18.364 -5.410 1.00 8.72 C ATOM 1549 CG ASN A 144 -12.679 19.417 -5.306 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -13.536 19.524 -6.185 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -12.675 20.181 -4.226 1.00 9.73 N ATOM 1552 OXT ASN A 144 -9.391 19.880 -4.373 1.00 8.17 O ATOM 0 H ASN A 144 -9.298 17.153 -5.680 1.00 7.08 H new ATOM 0 HA ASN A 144 -10.787 19.164 -7.222 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -12.005 17.455 -5.843 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -11.237 18.109 -4.410 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -13.399 20.889 -4.099 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -11.948 20.062 -3.520 1.00 9.73 H new TER 1559 ASN A 144